[2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane

C17H18N3P — CID 146429697

IUPAC[2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane
SMILESCCc1nnc(-c2ccccc2)n1-c1c(C)cccc1P
InChIInChI=1S/C17H18N3P/c1-3-15-18-19-17(13-9-5-4-6-10-13)20(15)16-12(2)8-7-11-14(16)21/h4-11H,3,21H2,1-2H3
InChIKeyZLSMNHQQHPYNOS-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.31
Rot. Bonds3

About [2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane

[2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane (PubChem CID 146429697) has the molecular formula C17H18N3P and a molecular weight of 295.33 g/mol. Its IUPAC name is [2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane.

Molecular Properties

Compound Name[2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane
PubChem CID146429697
Molecular FormulaC17H18N3P
Molecular Weight295.33 g/mol
Exact Mass295.12
IUPAC Name[2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane
SMILESCCc1nnc(-c2ccccc2)n1-c1c(C)cccc1P
InChIInChI=1S/C17H18N3P/c1-3-15-18-19-17(13-9-5-4-6-10-13)20(15)16-12(2)8-7-11-14(16)21/h4-11H,3,21H2,1-2H3
InChIKeyZLSMNHQQHPYNOS-UHFFFAOYSA-N
XLogP3.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole
CID 140615503
3-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-2-methylaniline
CID 71762542
3-chloro-4-(2-chloro-6-methylphenyl)-5-phenyl-1,2,4-triazole
CID 66253948
3-butyl-5-(3-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazole
CID 158282021
3-(chloromethyl)-4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 83968157
3-(2,6-dimethylphenyl)-4-[2,6-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole
CID 90190715
(NZ,Z)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride;2,6-dimethylaniline;4-(2,6-dimethylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 172936128
3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
CID 893283
3-tert-butyl-4-(2,6-dimethylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole
CID 118544171
3-chloro-4-(2,3-dimethylphenyl)-5-ethyl-1,2,4-triazole
CID 63384946
4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one
CID 70389751
[5-(2-chloro-3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943836

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane?
The IUPAC name of [2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane (CID 146429697) is [2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane.
What is the SMILES notation for [2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane?
The canonical SMILES for [2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane is CCc1nnc(-c2ccccc2)n1-c1c(C)cccc1P.
What is the InChIKey of [2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane?
The InChIKey is ZLSMNHQQHPYNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N3P/c1-3-15-18-19-17(13-9-5-4-6-10-13)20(15)16-12(2)8-7-11-14(16)21/h4-11H,3,21H2,1-2H3.
What are the key properties of [2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane?
[2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane has a molecular weight of 295.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane is sourced from PubChem (CID 146429697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).