Research chemical
CAS Number: 113181-12-7
![N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine molecular structure, CAS 113181-12-7](/structure-images/113181-12-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
899185
Exact Mass
267.148396
InChIKey
CFMVTSSGFWTRML-UHFFFAOYSA-N
SMILES String
Cc1nnc2c(NC3CCCC3)nc3ccccc3n12
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is identified by CAS 113181-12-7, with molecular formula C15H17N5, molecular weight 267.33, InChIKey CFMVTSSGFWTRML-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with ATPase family AAA domain-containing protein 5, Geminin. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
20
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
2
Ring count
4
Aromatic rings
3
Topological polar surface area
55.11 Ų
Computed LogP
2.94
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CAS 113181-12-7) is maintained as a cataloged research chemical with formula C15H17N5, molecular weight 267. 33 g/mol, PubChem CID 899185.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: ATPase family AAA domain-containing protein 5 (Homo sapiens) — 2 assays; Geminin (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
ATPase family AAA domain-containing protein 5
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Geminin
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.