1-[(3-phenylphenyl)methyl]-1,2,4-triazole

C15H13N3 — CID 23585406

IUPAC1-[(3-phenylphenyl)methyl]-1,2,4-triazole
SMILESc1ccc(-c2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C15H13N3/c1-2-6-14(7-3-1)15-8-4-5-13(9-15)10-18-12-16-11-17-18/h1-9,11-12H,10H2
InChIKeyOZOOKYPKFWRQMO-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.99
Rot. Bonds3

About 1-[(3-phenylphenyl)methyl]-1,2,4-triazole

1-[(3-phenylphenyl)methyl]-1,2,4-triazole (PubChem CID 23585406) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(3-phenylphenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(3-phenylphenyl)methyl]-1,2,4-triazole
PubChem CID23585406
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name1-[(3-phenylphenyl)methyl]-1,2,4-triazole
SMILESc1ccc(-c2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C15H13N3/c1-2-6-14(7-3-1)15-8-4-5-13(9-15)10-18-12-16-11-17-18/h1-9,11-12H,10H2
InChIKeyOZOOKYPKFWRQMO-UHFFFAOYSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Letrozole
CID 3902
Anastrozole
CID 2187
Fluotrimazole
CID 91600
1-(Phenylmethyl)-1H-1,2,4-triazole
CID 22458
1-benzyl-3,5-dibromo-1H-1,2,4-triazole
CID 1475046
4-(1,2,4-Triazol-1-ylmethyl)benzonitrile
CID 7537616
Leflutrozole
CID 126735
5-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-2-carbonitrile
CID 23585571
2-(5-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-3-yl)-2-methylpropanenitrile
CID 23585671
Nitro[1-benzyl(1,2,4-triazol-4-yl)]amine
CID 3674970
1-benzyl-1H-1,2,3,4-tetrazole
CID 3822426
1-[Bis(4-chlorophenyl)methyl]-1,2,4-triazole
CID 4207739

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenylphenyl)methyl]-1,2,4-triazole?
The IUPAC name of 1-[(3-phenylphenyl)methyl]-1,2,4-triazole (CID 23585406) is 1-[(3-phenylphenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(3-phenylphenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-[(3-phenylphenyl)methyl]-1,2,4-triazole is c1ccc(-c2cccc(Cn3cncn3)c2)cc1.
What is the InChIKey of 1-[(3-phenylphenyl)methyl]-1,2,4-triazole?
The InChIKey is OZOOKYPKFWRQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-6-14(7-3-1)15-8-4-5-13(9-15)10-18-12-16-11-17-18/h1-9,11-12H,10H2.
What are the key properties of 1-[(3-phenylphenyl)methyl]-1,2,4-triazole?
1-[(3-phenylphenyl)methyl]-1,2,4-triazole has a molecular weight of 235.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenylphenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 23585406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).