4-(4-methylphenyl)-1-(1-phenylethenyl)triazole

C17H15N3 — CID 132961816

IUPAC4-(4-methylphenyl)-1-(1-phenylethenyl)triazole
SMILESC=C(c1ccccc1)n1cc(-c2ccc(C)cc2)nn1
InChIInChI=1S/C17H15N3/c1-13-8-10-16(11-9-13)17-12-20(19-18-17)14(2)15-6-4-3-5-7-15/h3-12H,2H2,1H3
InChIKeyGWMXXIKSQYWEOL-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.77
Rot. Bonds3

About 4-(4-methylphenyl)-1-(1-phenylethenyl)triazole

4-(4-methylphenyl)-1-(1-phenylethenyl)triazole (PubChem CID 132961816) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-(1-phenylethenyl)triazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-(1-phenylethenyl)triazole
PubChem CID132961816
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name4-(4-methylphenyl)-1-(1-phenylethenyl)triazole
SMILESC=C(c1ccccc1)n1cc(-c2ccc(C)cc2)nn1
InChIInChI=1S/C17H15N3/c1-13-8-10-16(11-9-13)17-12-20(19-18-17)14(2)15-6-4-3-5-7-15/h3-12H,2H2,1H3
InChIKeyGWMXXIKSQYWEOL-UHFFFAOYSA-N
XLogP3.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-(1-phenylethenyl)triazole?
The IUPAC name of 4-(4-methylphenyl)-1-(1-phenylethenyl)triazole (CID 132961816) is 4-(4-methylphenyl)-1-(1-phenylethenyl)triazole.
What is the SMILES notation for 4-(4-methylphenyl)-1-(1-phenylethenyl)triazole?
The canonical SMILES for 4-(4-methylphenyl)-1-(1-phenylethenyl)triazole is C=C(c1ccccc1)n1cc(-c2ccc(C)cc2)nn1.
What is the InChIKey of 4-(4-methylphenyl)-1-(1-phenylethenyl)triazole?
The InChIKey is GWMXXIKSQYWEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-13-8-10-16(11-9-13)17-12-20(19-18-17)14(2)15-6-4-3-5-7-15/h3-12H,2H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-(1-phenylethenyl)triazole?
4-(4-methylphenyl)-1-(1-phenylethenyl)triazole has a molecular weight of 261.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-(1-phenylethenyl)triazole is sourced from PubChem (CID 132961816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).