N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C15H17N5 — CID 899185

IUPACN-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(NC3CCCC3)nc3ccccc3n12
InChIInChI=1S/C15H17N5/c1-10-18-19-15-14(16-11-6-2-3-7-11)17-12-8-4-5-9-13(12)20(10)15/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyCFMVTSSGFWTRML-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.94
Rot. Bonds2

About N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 899185) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID899185
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(NC3CCCC3)nc3ccccc3n12
InChIInChI=1S/C15H17N5/c1-10-18-19-15-14(16-11-6-2-3-7-11)17-12-8-4-5-9-13(12)20(10)15/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyCFMVTSSGFWTRML-UHFFFAOYSA-N
XLogP2.94
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 899185) is N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1nnc2c(NC3CCCC3)nc3ccccc3n12.
What is the InChIKey of N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is CFMVTSSGFWTRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-18-19-15-14(16-11-6-2-3-7-11)17-12-8-4-5-9-13(12)20(10)15/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 899185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).