6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile

C11H9N5O — CID 134523645

IUPAC6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile
SMILESCC(=O)c1cnn(-c2cc(C)c(C#N)cn2)n1
InChIInChI=1S/C11H9N5O/c1-7-3-11(13-5-9(7)4-12)16-14-6-10(15-16)8(2)17/h3,5-6H,1-2H3
InChIKeyWFDDZYAAGIOIRA-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.04
Rot. Bonds2

About 6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile

6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile (PubChem CID 134523645) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile
PubChem CID134523645
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile
SMILESCC(=O)c1cnn(-c2cc(C)c(C#N)cn2)n1
InChIInChI=1S/C11H9N5O/c1-7-3-11(13-5-9(7)4-12)16-14-6-10(15-16)8(2)17/h3,5-6H,1-2H3
InChIKeyWFDDZYAAGIOIRA-UHFFFAOYSA-N
XLogP1.04
TPSA84.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile 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

6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile
CID 134523720
4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile
CID 156544456
6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile
CID 134531443
methyl 3-(5-cyano-4-methyl-2-pyridinyl)-2-oxo-1H-imidazole-5-carboxylate
CID 134523808
6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 134523949
6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile
CID 146481730
6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 166906107
6-formyl-4-methylpyridine-3-carbonitrile
CID 131440294
1-(5-cyano-4-methyl-2-pyridinyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 155951687
CID 175289623
CID 175289623
(2-cyanophenyl) 2-phenyltriazole-4-carboxylate
CID 18189513
6-[4-[[(3R,5S)-3-(3,3-dideuterio-4-methyl-1-oxo-2-benzofuran-5-yl)-5-methylpiperazin-1-yl]methyl]triazol-2-yl]-4-methylpyridine-3-carbonitrile
CID 137351018

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile (CID 134523645) is 6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile is CC(=O)c1cnn(-c2cc(C)c(C#N)cn2)n1.
What is the InChIKey of 6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile?
The InChIKey is WFDDZYAAGIOIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-3-11(13-5-9(7)4-12)16-14-6-10(15-16)8(2)17/h3,5-6H,1-2H3.
What are the key properties of 6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile?
6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile has a molecular weight of 227.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 134523645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).