6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

C17H16ClN5 — CID 23151509

IUPAC6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCCCCc1c(C)c(C#N)c2nc(-c3ccccn3)nn2c1Cl
InChIInChI=1S/C17H16ClN5/c1-3-4-7-12-11(2)13(10-19)17-21-16(22-23(17)15(12)18)14-8-5-6-9-20-14/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNJODKHXEMIRTMK-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.97
Rot. Bonds4

About 6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 23151509) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID23151509
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCCCCc1c(C)c(C#N)c2nc(-c3ccccn3)nn2c1Cl
InChIInChI=1S/C17H16ClN5/c1-3-4-7-12-11(2)13(10-19)17-21-16(22-23(17)15(12)18)14-8-5-6-9-20-14/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNJODKHXEMIRTMK-UHFFFAOYSA-N
XLogP3.97
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile 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 6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of 6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 23151509) is 6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for 6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for 6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is CCCCc1c(C)c(C#N)c2nc(-c3ccccn3)nn2c1Cl.
What is the InChIKey of 6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is NJODKHXEMIRTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-3-4-7-12-11(2)13(10-19)17-21-16(22-23(17)15(12)18)14-8-5-6-9-20-14/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 325.80 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-chloro-7-methyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23151509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).