2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile

C11H12N4 — CID 116989558

IUPAC2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile
SMILESCCC(C#N)c1nc2cccc(C)n2n1
InChIInChI=1S/C11H12N4/c1-3-9(7-12)11-13-10-6-4-5-8(2)15(10)14-11/h4-6,9H,3H2,1-2H3
InChIKeySSHTZUCVGWKQAH-UHFFFAOYSA-N
MW200.25 g/mol
LogP2.05
Rot. Bonds2

About 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile

2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile (PubChem CID 116989558) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile.

Molecular Properties

Compound Name2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile
PubChem CID116989558
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile
SMILESCCC(C#N)c1nc2cccc(C)n2n1
InChIInChI=1S/C11H12N4/c1-3-9(7-12)11-13-10-6-4-5-8(2)15(10)14-11/h4-6,9H,3H2,1-2H3
InChIKeySSHTZUCVGWKQAH-UHFFFAOYSA-N
XLogP2.05
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile 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-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile?
The IUPAC name of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile (CID 116989558) is 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile.
What is the SMILES notation for 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile?
The canonical SMILES for 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile is CCC(C#N)c1nc2cccc(C)n2n1.
What is the InChIKey of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile?
The InChIKey is SSHTZUCVGWKQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-3-9(7-12)11-13-10-6-4-5-8(2)15(10)14-11/h4-6,9H,3H2,1-2H3.
What are the key properties of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile?
2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile has a molecular weight of 200.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile is sourced from PubChem (CID 116989558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).