5-methyl-1-phenyl-4-(4-phenylphenyl)triazole

C21H17N3 — CID 140714399

IUPAC5-methyl-1-phenyl-4-(4-phenylphenyl)triazole
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)nnn1-c1ccccc1
InChIInChI=1S/C21H17N3/c1-16-21(22-23-24(16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,1H3
InChIKeyOOVZESZVMQQLMT-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.91
Rot. Bonds3

About 5-methyl-1-phenyl-4-(4-phenylphenyl)triazole

5-methyl-1-phenyl-4-(4-phenylphenyl)triazole (PubChem CID 140714399) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-methyl-1-phenyl-4-(4-phenylphenyl)triazole.

Molecular Properties

Compound Name5-methyl-1-phenyl-4-(4-phenylphenyl)triazole
PubChem CID140714399
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name5-methyl-1-phenyl-4-(4-phenylphenyl)triazole
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)nnn1-c1ccccc1
InChIInChI=1S/C21H17N3/c1-16-21(22-23-24(16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,1H3
InChIKeyOOVZESZVMQQLMT-UHFFFAOYSA-N
XLogP4.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide
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5-(4-methylphenyl)-3-phenyltriazol-4-amine
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5-(5-methyl-1-phenyltriazol-4-yl)isoindole-1,3-dione
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CID 13162137
3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 17015661
1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine
CID 62254228
5-methyl-1-phenyltriazol-4-ol
CID 15257136
4-(4-tert-butylphenyl)-5-phenyl-1-(4-phenylphenyl)triazole
CID 67378200
5-(4-fluorophenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
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5-methyl-1,3,4-triphenylpyrazole
CID 1202580

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-4-(4-phenylphenyl)triazole?
The IUPAC name of 5-methyl-1-phenyl-4-(4-phenylphenyl)triazole (CID 140714399) is 5-methyl-1-phenyl-4-(4-phenylphenyl)triazole.
What is the SMILES notation for 5-methyl-1-phenyl-4-(4-phenylphenyl)triazole?
The canonical SMILES for 5-methyl-1-phenyl-4-(4-phenylphenyl)triazole is Cc1c(-c2ccc(-c3ccccc3)cc2)nnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-4-(4-phenylphenyl)triazole?
The InChIKey is OOVZESZVMQQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-16-21(22-23-24(16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,1H3.
What are the key properties of 5-methyl-1-phenyl-4-(4-phenylphenyl)triazole?
5-methyl-1-phenyl-4-(4-phenylphenyl)triazole has a molecular weight of 311.39 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-4-(4-phenylphenyl)triazole is sourced from PubChem (CID 140714399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).