4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole

C19H17N3 — CID 139251520

IUPAC4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole
SMILESC=CCn1nc(C(=C)c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H17N3/c1-3-14-22-20-18(15(2)16-10-6-4-7-11-16)19(21-22)17-12-8-5-9-13-17/h3-13H,1-2,14H2
InChIKeyJKRDJBDNYOLVOA-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.19
Rot. Bonds5

About 4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole

4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole (PubChem CID 139251520) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole.

Molecular Properties

Compound Name4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole
PubChem CID139251520
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole
SMILESC=CCn1nc(C(=C)c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H17N3/c1-3-14-22-20-18(15(2)16-10-6-4-7-11-16)19(21-22)17-12-8-5-9-13-17/h3-13H,1-2,14H2
InChIKeyJKRDJBDNYOLVOA-UHFFFAOYSA-N
XLogP4.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,5-Diphenyl-1,2,3-triazole
CID 613500
1,2,3-Triazolo(4,5-d)(2)benzazepine, 2,4-dihydro-6-phenyl-
CID 3060450
5-methyl-4-phenyl-1H-1,2,3-triazole
CID 12207442
1H-1,2,3-Triazole, 1-benzyl-4,5-diphenyl-
CID 283388
2H-1,2,3-Triazole, 2,4-diphenyl-
CID 11074947
2-Methyl-4-phenyl-1,2,3-triazole
CID 13610390
2-Ethyl-4-phenyltriazole
CID 71449346
4,5-Diphenyl-1H-1,2,3-triazol-1-amine
CID 271096
3,4-Diphenyl-1,2,5-thiadiazole
CID 585569
3-(4,5-Diphenyltriazol-2-yl)propanoic acid
CID 12461618
N-[(2-benzyl-5-phenyl-2H-1,2,3-triazol-4-yl)methyl]-N-(tert-butyl)amine
CID 44615823
4-Phenyl-2-(2-phenylphenyl)triazole
CID 122188129

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole?
The IUPAC name of 4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole (CID 139251520) is 4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole.
What is the SMILES notation for 4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole?
The canonical SMILES for 4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole is C=CCn1nc(C(=C)c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole?
The InChIKey is JKRDJBDNYOLVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-3-14-22-20-18(15(2)16-10-6-4-7-11-16)19(21-22)17-12-8-5-9-13-17/h3-13H,1-2,14H2.
What are the key properties of 4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole?
4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole has a molecular weight of 287.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole is sourced from PubChem (CID 139251520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).