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

C19H19N3 — CID 102473644

IUPAC4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole
SMILESC=CCn1nc(-c2ccccc2)c(C(C)c2ccccc2)n1
InChIInChI=1S/C19H19N3/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/h3-13,15H,1,14H2,2H3
InChIKeyHDDJQXLJRVLSSG-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.28
Rot. Bonds5

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

4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole (PubChem CID 102473644) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole.

Molecular Properties

Compound Name4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole
PubChem CID102473644
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole
SMILESC=CCn1nc(-c2ccccc2)c(C(C)c2ccccc2)n1
InChIInChI=1S/C19H19N3/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/h3-13,15H,1,14H2,2H3
InChIKeyHDDJQXLJRVLSSG-UHFFFAOYSA-N
XLogP4.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.28
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-phenyl-5-(1-phenylethyl)-2H-triazole
CID 102473636
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
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1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol
CID 102048497
(2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol
CID 50959540
2-[[benzhydryl(methyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione
CID 18149975
2-methylsulfanyl-4,5-diphenyl-1-prop-2-enylimidazole
CID 102517224
2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine
CID 62483396
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
N-[1-(3-phenylphenyl)ethyl]methanimine
CID 145073467

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole?
The IUPAC name of 4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole (CID 102473644) is 4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole.
What is the SMILES notation for 4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole?
The canonical SMILES for 4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole is C=CCn1nc(-c2ccccc2)c(C(C)c2ccccc2)n1.
What is the InChIKey of 4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole?
The InChIKey is HDDJQXLJRVLSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/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/h3-13,15H,1,14H2,2H3.
What are the key properties of 4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole?
4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole has a molecular weight of 289.38 g/mol, XLogP of 4.28, 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-phenylethyl)-2-prop-2-enyltriazole is sourced from PubChem (CID 102473644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).