2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline

C23H23N4P — CID 138547414

IUPAC2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESCN(Cc1ncnn1C)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N4P/c1-26(17-23-24-18-25-27(23)2)21-15-9-10-16-22(21)28(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3
InChIKeyRPKLHDMGHRJZHM-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.21
Rot. Bonds6

About 2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline

2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline (PubChem CID 138547414) has the molecular formula C23H23N4P and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
PubChem CID138547414
Molecular FormulaC23H23N4P
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESCN(Cc1ncnn1C)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N4P/c1-26(17-23-24-18-25-27(23)2)21-15-9-10-16-22(21)28(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3
InChIKeyRPKLHDMGHRJZHM-UHFFFAOYSA-N
XLogP3.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline?
The IUPAC name of 2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline (CID 138547414) is 2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline?
The canonical SMILES for 2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline is CN(Cc1ncnn1C)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline?
The InChIKey is RPKLHDMGHRJZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N4P/c1-26(17-23-24-18-25-27(23)2)21-15-9-10-16-22(21)28(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3.
What are the key properties of 2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline?
2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline has a molecular weight of 386.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline is sourced from PubChem (CID 138547414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).