1-[(4-methylphenyl)methyl]-4-phenyltriazole

C16H15N3 — CID 14612069

IUPAC1-[(4-methylphenyl)methyl]-4-phenyltriazole
SMILESCc1ccc(Cn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-13-7-9-14(10-8-13)11-19-12-16(17-18-19)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyKAMXFUGPWQAKET-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.30
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-4-phenyltriazole

1-[(4-methylphenyl)methyl]-4-phenyltriazole (PubChem CID 14612069) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-phenyltriazole
PubChem CID14612069
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-[(4-methylphenyl)methyl]-4-phenyltriazole
SMILESCc1ccc(Cn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-13-7-9-14(10-8-13)11-19-12-16(17-18-19)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyKAMXFUGPWQAKET-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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-phenyltriazole?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-phenyltriazole (CID 14612069) is 1-[(4-methylphenyl)methyl]-4-phenyltriazole.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-phenyltriazole?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-phenyltriazole is Cc1ccc(Cn2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-phenyltriazole?
The InChIKey is KAMXFUGPWQAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-13-7-9-14(10-8-13)11-19-12-16(17-18-19)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-4-phenyltriazole?
1-[(4-methylphenyl)methyl]-4-phenyltriazole 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 1-[(4-methylphenyl)methyl]-4-phenyltriazole is sourced from PubChem (CID 14612069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).