2-(2-chlorophenyl)-4,5-dimethyltriazole

C10H10ClN3 — CID 21395782

IUPAC2-(2-chlorophenyl)-4,5-dimethyltriazole
SMILESCc1nn(-c2ccccc2Cl)nc1C
InChIInChI=1S/C10H10ClN3/c1-7-8(2)13-14(12-7)10-6-4-3-5-9(10)11/h3-6H,1-2H3
InChIKeyZZYJBGVJWWGISO-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.54
Rot. Bonds1

About 2-(2-chlorophenyl)-4,5-dimethyltriazole

2-(2-chlorophenyl)-4,5-dimethyltriazole (PubChem CID 21395782) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4,5-dimethyltriazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4,5-dimethyltriazole
PubChem CID21395782
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-(2-chlorophenyl)-4,5-dimethyltriazole
SMILESCc1nn(-c2ccccc2Cl)nc1C
InChIInChI=1S/C10H10ClN3/c1-7-8(2)13-14(12-7)10-6-4-3-5-9(10)11/h3-6H,1-2H3
InChIKeyZZYJBGVJWWGISO-UHFFFAOYSA-N
XLogP2.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole
CID 66023026
1-(2-chlorophenyl)-2,5-dimethylpyrrole
CID 4763653
3-chloro-1-(2-chlorophenyl)-5-methylpyrazole
CID 59022592
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
CID 142810831
5-bromo-2-(2-chlorophenyl)triazole-4-carboxylic acid
CID 97057737
N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
CID 117124675
5-methyl-2-(2-methylphenyl)triazol-4-amine
CID 97058283
2-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]acetaldehyde
CID 83896288
3,5-ditert-butyl-1-(2-chlorophenyl)pyrazole
CID 43531669
5-bromo-3-(chloromethyl)-1-(2-chlorophenyl)-1,2,4-triazole
CID 142563976
5-amino-1-(2-chlorophenyl)-3-methylpyrazole-4-carbothioamide
CID 13496605
1-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]propan-2-one
CID 116817835

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4,5-dimethyltriazole?
The IUPAC name of 2-(2-chlorophenyl)-4,5-dimethyltriazole (CID 21395782) is 2-(2-chlorophenyl)-4,5-dimethyltriazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4,5-dimethyltriazole?
The canonical SMILES for 2-(2-chlorophenyl)-4,5-dimethyltriazole is Cc1nn(-c2ccccc2Cl)nc1C.
What is the InChIKey of 2-(2-chlorophenyl)-4,5-dimethyltriazole?
The InChIKey is ZZYJBGVJWWGISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-7-8(2)13-14(12-7)10-6-4-3-5-9(10)11/h3-6H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4,5-dimethyltriazole?
2-(2-chlorophenyl)-4,5-dimethyltriazole has a molecular weight of 207.66 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4,5-dimethyltriazole is sourced from PubChem (CID 21395782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).