1-benzyl-4-ethyl-5-phenyltriazole

C17H17N3 — CID 123573557

IUPAC1-benzyl-4-ethyl-5-phenyltriazole
SMILESCCc1nnn(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-2-16-17(15-11-7-4-8-12-15)20(19-18-16)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyIFCRFXRXNBLWBA-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.56
Rot. Bonds4

About 1-benzyl-4-ethyl-5-phenyltriazole

1-benzyl-4-ethyl-5-phenyltriazole (PubChem CID 123573557) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-benzyl-4-ethyl-5-phenyltriazole.

Molecular Properties

Compound Name1-benzyl-4-ethyl-5-phenyltriazole
PubChem CID123573557
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-benzyl-4-ethyl-5-phenyltriazole
SMILESCCc1nnn(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-2-16-17(15-11-7-4-8-12-15)20(19-18-16)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyIFCRFXRXNBLWBA-UHFFFAOYSA-N
XLogP3.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
2-(3-benzyl-5-ethyltriazol-4-yl)ethanol
CID 127052472
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
1-benzyl-4-butyl-5-(2-methylphenyl)triazole
CID 102474944
1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
CID 101446629
(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130
1-benzyl-3,5-diethylpyrazol-4-amine
CID 82702837
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
2-(5-phenyl-1-propyltriazol-4-yl)acetic acid
CID 82205190
4-benzyl-1-methyl-5-phenyltriazole
CID 102338119

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethyl-5-phenyltriazole?
The IUPAC name of 1-benzyl-4-ethyl-5-phenyltriazole (CID 123573557) is 1-benzyl-4-ethyl-5-phenyltriazole.
What is the SMILES notation for 1-benzyl-4-ethyl-5-phenyltriazole?
The canonical SMILES for 1-benzyl-4-ethyl-5-phenyltriazole is CCc1nnn(Cc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-benzyl-4-ethyl-5-phenyltriazole?
The InChIKey is IFCRFXRXNBLWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-16-17(15-11-7-4-8-12-15)20(19-18-16)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3.
What are the key properties of 1-benzyl-4-ethyl-5-phenyltriazole?
1-benzyl-4-ethyl-5-phenyltriazole has a molecular weight of 263.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethyl-5-phenyltriazole is sourced from PubChem (CID 123573557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).