4-(3-chlorophenyl)-1-(2-methylphenyl)triazole

C15H12ClN3 — CID 20977557

IUPAC4-(3-chlorophenyl)-1-(2-methylphenyl)triazole
SMILESCc1ccccc1-n1cc(-c2cccc(Cl)c2)nn1
InChIInChI=1S/C15H12ClN3/c1-11-5-2-3-8-15(11)19-10-14(17-18-19)12-6-4-7-13(16)9-12/h2-10H,1H3
InChIKeyGPTFMKZEVVFPIO-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.90
Rot. Bonds2

About 4-(3-chlorophenyl)-1-(2-methylphenyl)triazole

4-(3-chlorophenyl)-1-(2-methylphenyl)triazole (PubChem CID 20977557) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-(2-methylphenyl)triazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-(2-methylphenyl)triazole
PubChem CID20977557
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name4-(3-chlorophenyl)-1-(2-methylphenyl)triazole
SMILESCc1ccccc1-n1cc(-c2cccc(Cl)c2)nn1
InChIInChI=1S/C15H12ClN3/c1-11-5-2-3-8-15(11)19-10-14(17-18-19)12-6-4-7-13(16)9-12/h2-10H,1H3
InChIKeyGPTFMKZEVVFPIO-UHFFFAOYSA-N
XLogP3.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole
CID 134835762
3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
CID 43324136
4-methyl-3-(4-phenyltriazol-1-yl)aniline
CID 82369853
5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine
CID 118303670
2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol
CID 175178239
4-(bromomethyl)-1-(2-methylphenyl)triazole
CID 62401939
1-naphthalen-1-yl-4-phenyltriazole
CID 78136552
1-(4-chloro-2-methylphenyl)-4-methyltriazole
CID 118286812
4-[1-(2,3-dimethylphenyl)triazol-4-yl]benzoic acid
CID 82367376
10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine
CID 118303730
1-(4-bromo-2-methylphenyl)-4-(4-bromophenyl)triazole
CID 170665250
5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
CID 7490709

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-(2-methylphenyl)triazole?
The IUPAC name of 4-(3-chlorophenyl)-1-(2-methylphenyl)triazole (CID 20977557) is 4-(3-chlorophenyl)-1-(2-methylphenyl)triazole.
What is the SMILES notation for 4-(3-chlorophenyl)-1-(2-methylphenyl)triazole?
The canonical SMILES for 4-(3-chlorophenyl)-1-(2-methylphenyl)triazole is Cc1ccccc1-n1cc(-c2cccc(Cl)c2)nn1.
What is the InChIKey of 4-(3-chlorophenyl)-1-(2-methylphenyl)triazole?
The InChIKey is GPTFMKZEVVFPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-11-5-2-3-8-15(11)19-10-14(17-18-19)12-6-4-7-13(16)9-12/h2-10H,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-(2-methylphenyl)triazole?
4-(3-chlorophenyl)-1-(2-methylphenyl)triazole has a molecular weight of 269.74 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-(2-methylphenyl)triazole is sourced from PubChem (CID 20977557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).