1-(4-chlorophenyl)-5-methyl-4-phenyltriazole

C15H12ClN3 — CID 118737663

IUPAC1-(4-chlorophenyl)-5-methyl-4-phenyltriazole
SMILESCc1c(-c2ccccc2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3/c1-11-15(12-5-3-2-4-6-12)17-18-19(11)14-9-7-13(16)8-10-14/h2-10H,1H3
InChIKeyDVHSNAOUDHDLPG-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.90
Rot. Bonds2

About 1-(4-chlorophenyl)-5-methyl-4-phenyltriazole

1-(4-chlorophenyl)-5-methyl-4-phenyltriazole (PubChem CID 118737663) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-4-phenyltriazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-4-phenyltriazole
PubChem CID118737663
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name1-(4-chlorophenyl)-5-methyl-4-phenyltriazole
SMILESCc1c(-c2ccccc2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3/c1-11-15(12-5-3-2-4-6-12)17-18-19(11)14-9-7-13(16)8-10-14/h2-10H,1H3
InChIKeyDVHSNAOUDHDLPG-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-4-phenyltriazole?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-4-phenyltriazole (CID 118737663) is 1-(4-chlorophenyl)-5-methyl-4-phenyltriazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-4-phenyltriazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-4-phenyltriazole is Cc1c(-c2ccccc2)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-4-phenyltriazole?
The InChIKey is DVHSNAOUDHDLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-11-15(12-5-3-2-4-6-12)17-18-19(11)14-9-7-13(16)8-10-14/h2-10H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-methyl-4-phenyltriazole?
1-(4-chlorophenyl)-5-methyl-4-phenyltriazole 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 1-(4-chlorophenyl)-5-methyl-4-phenyltriazole is sourced from PubChem (CID 118737663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).