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

C15H12ClN3 — CID 45497430

IUPAC5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole
SMILESClc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H12ClN3/c16-13-8-6-11(7-9-13)10-14-17-15(19-18-14)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18,19)
InChIKeyFKPPXSNDXJYZRO-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.72
Rot. Bonds3

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

5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole (PubChem CID 45497430) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole
PubChem CID45497430
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole
SMILESClc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H12ClN3/c16-13-8-6-11(7-9-13)10-14-17-15(19-18-14)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18,19)
InChIKeyFKPPXSNDXJYZRO-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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Related Compounds

3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
3-(4-Chlorophenyl)-5-(methylthio)-4H-1,2,4-triazole
CID 449127
3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
CID 691412
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
ethyl 2-[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate
CID 1483083
5-(2-chlorophenyl)-4H-1,2,4-triazol-3-amine
CID 5064432
3-methyl-5-phenyl-1H-1,2,4-triazole
CID 594381
5-(4-chlorophenyl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,4-triazole
CID 2806990
5-benzyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 2147143
3-Phenyl-5-p-tolyl-S-triazole
CID 134528
5-(2-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 644851
4H-1,2,4-Triazol-4-amine, 3,5-bis(2-chlorophenyl)-
CID 826306

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole (CID 45497430) is 5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole is Clc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole?
The InChIKey is FKPPXSNDXJYZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-13-8-6-11(7-9-13)10-14-17-15(19-18-14)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18,19).
What are the key properties of 5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole?
5-[(4-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-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 45497430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).