2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole

C11H12ClN3 — CID 142810831

IUPAC2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
SMILESCc1ccc(Cl)cc1-n1nc(C)c(C)n1
InChIInChI=1S/C11H12ClN3/c1-7-4-5-10(12)6-11(7)15-13-8(2)9(3)14-15/h4-6H,1-3H3
InChIKeyGQAMOMBYCDWYDB-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.85
Rot. Bonds1

About 2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole

2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole (PubChem CID 142810831) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
PubChem CID142810831
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
SMILESCc1ccc(Cl)cc1-n1nc(C)c(C)n1
InChIInChI=1S/C11H12ClN3/c1-7-4-5-10(12)6-11(7)15-13-8(2)9(3)14-15/h4-6H,1-3H3
InChIKeyGQAMOMBYCDWYDB-UHFFFAOYSA-N
XLogP2.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-4,5-dimethyltriazole
CID 54146141
4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole
CID 82088582
2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole
CID 46262530
5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole
CID 57072452
1-(5-chloro-2-methylphenyl)tetrazole
CID 11586443
2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one
CID 7277251
2-(5-chloro-2-methylphenyl)pyrazol-3-amine
CID 82470501
[1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol
CID 84614934
3-(5-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid
CID 82480997
2-(2-chlorophenyl)-4,5-dimethyltriazole
CID 21395782
1-(5-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28973980
1-(5-chloro-2-methylphenyl)piperazine
CID 693767

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole (CID 142810831) is 2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole is Cc1ccc(Cl)cc1-n1nc(C)c(C)n1.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole?
The InChIKey is GQAMOMBYCDWYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-4-5-10(12)6-11(7)15-13-8(2)9(3)14-15/h4-6H,1-3H3.
What are the key properties of 2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole?
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole has a molecular weight of 221.69 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole is sourced from PubChem (CID 142810831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).