[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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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).