4-benzhydryl-3-chloro-1,2,4-triazole

C15H12ClN3 — CID 63384557

IUPAC4-benzhydryl-3-chloro-1,2,4-triazole
SMILESClc1nncn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12ClN3/c16-15-18-17-11-19(15)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H
InChIKeyUNGPIFRDQCZIDA-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.57
Rot. Bonds3

About 4-benzhydryl-3-chloro-1,2,4-triazole

4-benzhydryl-3-chloro-1,2,4-triazole (PubChem CID 63384557) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 4-benzhydryl-3-chloro-1,2,4-triazole.

Molecular Properties

Compound Name4-benzhydryl-3-chloro-1,2,4-triazole
PubChem CID63384557
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name4-benzhydryl-3-chloro-1,2,4-triazole
SMILESClc1nncn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12ClN3/c16-15-18-17-11-19(15)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H
InChIKeyUNGPIFRDQCZIDA-UHFFFAOYSA-N
XLogP3.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-3-chloro-1,2,4-triazole?
The IUPAC name of 4-benzhydryl-3-chloro-1,2,4-triazole (CID 63384557) is 4-benzhydryl-3-chloro-1,2,4-triazole.
What is the SMILES notation for 4-benzhydryl-3-chloro-1,2,4-triazole?
The canonical SMILES for 4-benzhydryl-3-chloro-1,2,4-triazole is Clc1nncn1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzhydryl-3-chloro-1,2,4-triazole?
The InChIKey is UNGPIFRDQCZIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-15-18-17-11-19(15)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H.
What are the key properties of 4-benzhydryl-3-chloro-1,2,4-triazole?
4-benzhydryl-3-chloro-1,2,4-triazole has a molecular weight of 269.74 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-3-chloro-1,2,4-triazole is sourced from PubChem (CID 63384557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).