3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole

C18H17N3 — CID 52878167

IUPAC3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole
SMILESCc1nc(-c2ccccc2)n(C/C=C/c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-15-19-18(17-12-6-3-7-13-17)21(20-15)14-8-11-16-9-4-2-5-10-16/h2-13H,14H2,1H3/b11-8+
InChIKeyOYBXVUUJYPMXPZ-DHZHZOJOSA-N
MW275.36 g/mol
LogP3.97
Rot. Bonds4

About 3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole

3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole (PubChem CID 52878167) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole
PubChem CID52878167
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole
SMILESCc1nc(-c2ccccc2)n(C/C=C/c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-15-19-18(17-12-6-3-7-13-17)21(20-15)14-8-11-16-9-4-2-5-10-16/h2-13H,14H2,1H3/b11-8+
InChIKeyOYBXVUUJYPMXPZ-DHZHZOJOSA-N
XLogP3.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetic acid
CID 82512631
5-methyl-2-[(E)-3-phenylprop-2-enyl]pyrazole-3-carboxylic acid
CID 82293348
[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol
CID 43647302
3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole
CID 114692400
2-[3,5-dimethyl-1-(3-phenylprop-2-enyl)pyrazol-4-yl]acetic acid
CID 61294436
4-phenyl-1-(3-phenylprop-2-enyl)imidazole
CID 57289864
2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17001023
4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole
CID 56528659
3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 89098096
1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5-phenyl-1,2,4-triazole
CID 56528691
5-methyl-4-phenyl-3-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-2-one
CID 51132299
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole?
The IUPAC name of 3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole (CID 52878167) is 3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole is Cc1nc(-c2ccccc2)n(C/C=C/c2ccccc2)n1.
What is the InChIKey of 3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole?
The InChIKey is OYBXVUUJYPMXPZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H17N3/c1-15-19-18(17-12-6-3-7-13-17)21(20-15)14-8-11-16-9-4-2-5-10-16/h2-13H,14H2,1H3/b11-8+.
What are the key properties of 3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole?
3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole has a molecular weight of 275.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole is sourced from PubChem (CID 52878167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).