N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C14H17N5 — CID 6622885

IUPACN-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCC(C)CCNc1nc2ccccc2n2cnnc12
InChIInChI=1S/C14H17N5/c1-10(2)7-8-15-13-14-18-16-9-19(14)12-6-4-3-5-11(12)17-13/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)
InChIKeyCZESBWHGNZKLNV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.74
Rot. Bonds4

About N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 6622885) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID6622885
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC NameN-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCC(C)CCNc1nc2ccccc2n2cnnc12
InChIInChI=1S/C14H17N5/c1-10(2)7-8-15-13-14-18-16-9-19(14)12-6-4-3-5-11(12)17-13/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)
InChIKeyCZESBWHGNZKLNV-UHFFFAOYSA-N
XLogP2.74
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295767
N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5309921
4-[([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)methyl]benzoic acid
CID 20880177
4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 6460812
N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 102059594
N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880171
phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone
CID 20921326
N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431320
8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431418
propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate
CID 20880184
4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7677782
N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
CID 13385787

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 6622885) is N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CC(C)CCNc1nc2ccccc2n2cnnc12.
What is the InChIKey of N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is CZESBWHGNZKLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10(2)7-8-15-13-14-18-16-9-19(14)12-6-4-3-5-11(12)17-13/h3-6,9-10H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 6622885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).