5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole

C15H12ClN3 — CID 13163603

IUPAC5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
SMILESCc1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H12ClN3/c1-11-17-15(12-7-9-13(16)10-8-12)19(18-11)14-5-3-2-4-6-14/h2-10H,1H3
InChIKeyWLUSIXQQGBBERQ-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.90
Rot. Bonds2

About 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole

5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole (PubChem CID 13163603) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
PubChem CID13163603
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
SMILESCc1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H12ClN3/c1-11-17-15(12-7-9-13(16)10-8-12)19(18-11)14-5-3-2-4-6-14/h2-10H,1H3
InChIKeyWLUSIXQQGBBERQ-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

5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole
CID 14531280
5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole
CID 13171070
2-(4-chlorophenyl)-4,5-diphenyl-1,2,4-triazole-3-thione
CID 10761239
1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide
CID 1211362
3-(4-chlorophenyl)-5-(2-methylpropyl)-1-phenyl-1,2,4-triazole
CID 135019292
1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5-phenyl-1,2,4-triazole
CID 56528691
1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazole
CID 14614471
3-chloro-5-methyl-1-phenyl-1,2,4-triazole
CID 30032671
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179
3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 11077118

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole?
The IUPAC name of 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole (CID 13163603) is 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole is Cc1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole?
The InChIKey is WLUSIXQQGBBERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-11-17-15(12-7-9-13(16)10-8-12)19(18-11)14-5-3-2-4-6-14/h2-10H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole?
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-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 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 13163603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).