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

C16H15N3 — CID 141321265

IUPAC3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole
SMILESCc1ncn(Cc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H15N3/c1-13-17-12-19(18-13)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyNFZLFFKVXLIKEA-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.30
Rot. Bonds3

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

3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole (PubChem CID 141321265) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole
PubChem CID141321265
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole
SMILESCc1ncn(Cc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H15N3/c1-13-17-12-19(18-13)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyNFZLFFKVXLIKEA-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-methyl-1,2,4-triazole
CID 174891258
[1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol
CID 90225482
1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole
CID 172850572
3-methyl-1-(3-phenylpropyl)-1,2,4-triazole
CID 58258708
4-methyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,2,4-triazol-4-ium
CID 134122531
1-benzyl-3-ethynyl-1,2,4-triazole
CID 59238417
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide
CID 55855875
4-(bromomethyl)-1-[(4-phenylphenyl)methyl]triazole
CID 62399723
2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene
CID 91447150
4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine
CID 29060877
1-benzyl-1,2,4-triazole-3-sulfonyl chloride
CID 122499948
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273528

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole?
The IUPAC name of 3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole (CID 141321265) is 3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole is Cc1ncn(Cc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole?
The InChIKey is NFZLFFKVXLIKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-13-17-12-19(18-13)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3.
What are the key properties of 3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole?
3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole has a molecular weight of 249.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 141321265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).