1-[(3-methylphenyl)methyl]-5-phenyltriazole

C16H15N3 — CID 14612081

IUPAC1-[(3-methylphenyl)methyl]-5-phenyltriazole
SMILESCc1cccc(Cn2nncc2-c2ccccc2)c1
InChIInChI=1S/C16H15N3/c1-13-6-5-7-14(10-13)12-19-16(11-17-18-19)15-8-3-2-4-9-15/h2-11H,12H2,1H3
InChIKeyNCFQZOYYXMFPQL-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.30
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-5-phenyltriazole

1-[(3-methylphenyl)methyl]-5-phenyltriazole (PubChem CID 14612081) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-5-phenyltriazole.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-5-phenyltriazole
PubChem CID14612081
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-[(3-methylphenyl)methyl]-5-phenyltriazole
SMILESCc1cccc(Cn2nncc2-c2ccccc2)c1
InChIInChI=1S/C16H15N3/c1-13-6-5-7-14(10-13)12-19-16(11-17-18-19)15-8-3-2-4-9-15/h2-11H,12H2,1H3
InChIKeyNCFQZOYYXMFPQL-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

3-[(5-phenyltriazol-1-yl)methyl]benzonitrile
CID 82221921
3-[[5-(3-aminophenyl)triazol-1-yl]methyl]benzoic acid
CID 82204376
3-[[5-(4-propan-2-ylphenyl)triazol-1-yl]methyl]benzonitrile
CID 82222010
1-benzyl-5-[5-(3-benzyltriazol-4-yl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]triazole
CID 139191593
1-benzyl-5-(2-chlorophenyl)triazole
CID 102338110
ethane;1-methyl-5-(3-methylphenyl)triazole
CID 176560147
5-[(5-phenyltriazol-1-yl)methyl]furan-2-carboxylic acid
CID 82221917
[4-[[5-(4-chloro-3-methylphenyl)triazol-1-yl]methyl]phenyl]methanamine
CID 94963163
5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole
CID 154492325
2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686365
methyl 3-benzyltriazole-4-carboxylate
CID 12651410
5-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 83241528

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-5-phenyltriazole?
The IUPAC name of 1-[(3-methylphenyl)methyl]-5-phenyltriazole (CID 14612081) is 1-[(3-methylphenyl)methyl]-5-phenyltriazole.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-5-phenyltriazole?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-5-phenyltriazole is Cc1cccc(Cn2nncc2-c2ccccc2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-5-phenyltriazole?
The InChIKey is NCFQZOYYXMFPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-13-6-5-7-14(10-13)12-19-16(11-17-18-19)15-8-3-2-4-9-15/h2-11H,12H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-5-phenyltriazole?
1-[(3-methylphenyl)methyl]-5-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-[(3-methylphenyl)methyl]-5-phenyltriazole is sourced from PubChem (CID 14612081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).