2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine

C11H15ClN4 — CID 116990173

IUPAC2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C11H15ClN4/c1-7(2)9(5-13)11-14-10-4-3-8(12)6-16(10)15-11/h3-4,6-7,9H,5,13H2,1-2H3
InChIKeyGHYAXMMHIGNOFY-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.08
Rot. Bonds3

About 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine

2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine (PubChem CID 116990173) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine
PubChem CID116990173
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C11H15ClN4/c1-7(2)9(5-13)11-14-10-4-3-8(12)6-16(10)15-11/h3-4,6-7,9H,5,13H2,1-2H3
InChIKeyGHYAXMMHIGNOFY-UHFFFAOYSA-N
XLogP2.08
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine (CID 116990173) is 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine is CC(C)C(CN)c1nc2ccc(Cl)cn2n1.
What is the InChIKey of 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine?
The InChIKey is GHYAXMMHIGNOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-7(2)9(5-13)11-14-10-4-3-8(12)6-16(10)15-11/h3-4,6-7,9H,5,13H2,1-2H3.
What are the key properties of 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine?
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine has a molecular weight of 238.72 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 116990173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).