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

C15H12ClN3 — CID 61354179

IUPAC5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole
SMILESClc1ccccc1Cc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H12ClN3/c16-13-9-5-4-8-12(13)10-14-17-15(19-18-14)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19)
InChIKeyKLPIMZWGPLYYPH-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.72
Rot. Bonds3

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

5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole (PubChem CID 61354179) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole
PubChem CID61354179
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole
SMILESClc1ccccc1Cc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H12ClN3/c16-13-9-5-4-8-12(13)10-14-17-15(19-18-14)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19)
InChIKeyKLPIMZWGPLYYPH-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole (CID 61354179) is 5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole is Clc1ccccc1Cc1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole?
The InChIKey is KLPIMZWGPLYYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-13-9-5-4-8-12(13)10-14-17-15(19-18-14)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19).
What are the key properties of 5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole?
5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole has a molecular weight of 269.74 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 61354179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).