1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile

C11H9ClN4 — CID 82196284

IUPAC1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
SMILESCc1ccc(Cl)cc1-n1nnc(C#N)c1C
InChIInChI=1S/C11H9ClN4/c1-7-3-4-9(12)5-11(7)16-8(2)10(6-13)14-15-16/h3-5H,1-2H3
InChIKeyQZGWQOKVKGBWOV-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.41
Rot. Bonds1

About 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile

1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile (PubChem CID 82196284) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
PubChem CID82196284
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
SMILESCc1ccc(Cl)cc1-n1nnc(C#N)c1C
InChIInChI=1S/C11H9ClN4/c1-7-3-4-9(12)5-11(7)16-8(2)10(6-13)14-15-16/h3-5H,1-2H3
InChIKeyQZGWQOKVKGBWOV-UHFFFAOYSA-N
XLogP2.41
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-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

1-(5-chloro-2-methylphenyl)-5-propan-2-yltriazole-4-carbonitrile
CID 82196296
1-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)triazole-4-carbonitrile
CID 82196308
5-tert-butyl-1-(4-chloro-2-methylphenyl)triazole-4-carbonitrile
CID 82195201
1-(4-chloro-2-methylphenyl)-5-phenyltriazole-4-carbonitrile
CID 82195223
1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671154
1-(4-chloro-2-methylphenyl)-5-pentan-3-yltriazole-4-carbonitrile
CID 82195204
5-(3,4-difluorophenyl)-1-(2,5-dimethylphenyl)triazole-4-carbonitrile
CID 94936082
4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole
CID 82088582
1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 39348499
5-tert-butyl-1-(2,5-dimethylphenyl)triazole-4-carbonitrile
CID 82195795
propyl 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carboxylate
CID 43836328
1-(5-chloro-2-methoxyphenyl)-5-pentan-3-yltriazole-4-carbonitrile
CID 82198943

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile (CID 82196284) is 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile is Cc1ccc(Cl)cc1-n1nnc(C#N)c1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile?
The InChIKey is QZGWQOKVKGBWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-7-3-4-9(12)5-11(7)16-8(2)10(6-13)14-15-16/h3-5H,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile?
1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile has a molecular weight of 232.67 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile is sourced from PubChem (CID 82196284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).