1-benzyl-5-methyl-4-phenyltriazole

C16H15N3 — CID 14910606

IUPAC1-benzyl-5-methyl-4-phenyltriazole
SMILESCc1c(-c2ccccc2)nnn1Cc1ccccc1
InChIInChI=1S/C16H15N3/c1-13-16(15-10-6-3-7-11-15)17-18-19(13)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyZQCODPWYFDNKPA-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.30
Rot. Bonds3

About 1-benzyl-5-methyl-4-phenyltriazole

1-benzyl-5-methyl-4-phenyltriazole (PubChem CID 14910606) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-benzyl-5-methyl-4-phenyltriazole.

Molecular Properties

Compound Name1-benzyl-5-methyl-4-phenyltriazole
PubChem CID14910606
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-benzyl-5-methyl-4-phenyltriazole
SMILESCc1c(-c2ccccc2)nnn1Cc1ccccc1
InChIInChI=1S/C16H15N3/c1-13-16(15-10-6-3-7-11-15)17-18-19(13)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyZQCODPWYFDNKPA-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-benzyl-5-methyl-4-phenyltriazole?
The IUPAC name of 1-benzyl-5-methyl-4-phenyltriazole (CID 14910606) is 1-benzyl-5-methyl-4-phenyltriazole.
What is the SMILES notation for 1-benzyl-5-methyl-4-phenyltriazole?
The canonical SMILES for 1-benzyl-5-methyl-4-phenyltriazole is Cc1c(-c2ccccc2)nnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methyl-4-phenyltriazole?
The InChIKey is ZQCODPWYFDNKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-13-16(15-10-6-3-7-11-15)17-18-19(13)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3.
What are the key properties of 1-benzyl-5-methyl-4-phenyltriazole?
1-benzyl-5-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-benzyl-5-methyl-4-phenyltriazole is sourced from PubChem (CID 14910606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).