3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole

C14H14N3P — CID 23414785

IUPAC3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole
SMILESCP1NC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C14H14N3P/c1-18-16-14(12-8-4-2-5-9-12)15-17(18)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,16)
InChIKeyGMCIDHARVSLZRC-UHFFFAOYSA-N
MW255.26 g/mol
LogP3.40
Rot. Bonds2

About 3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole

3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole (PubChem CID 23414785) has the molecular formula C14H14N3P and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole.

Molecular Properties

Compound Name3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole
PubChem CID23414785
Molecular FormulaC14H14N3P
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC Name3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole
SMILESCP1NC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C14H14N3P/c1-18-16-14(12-8-4-2-5-9-12)15-17(18)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,16)
InChIKeyGMCIDHARVSLZRC-UHFFFAOYSA-N
XLogP3.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diminazene
CID 2354
Benzaldehyde phenylhydrazone
CID 6436752
N-Phenylbenzamidine
CID 200127
3-[1-(Phenyl-hydrazono)-ethyl]-phenylamine
CID 9589800
Benzamidine, N-phenyl-, monohydrochloride
CID 200126
4-methyl-N-phenylbenzenecarboximidamide
CID 341821
2,3,5-Triphenyltetrazole
CID 506591
Benzenecarboximidic acid, 2-phenylhydrazide, monohydrochloride
CID 9578610
1,3,5-Triphenylformazan
CID 5463277
Benzenecarboximidamide, N-phenyl-, monohydriodide
CID 3049207
2'-Aminoacetophenone phenylhydrazone
CID 9654732
Diazene, phenyl[phenyl(phenylhydrazono)methyl]-
CID 68274

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole?
The IUPAC name of 3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole (CID 23414785) is 3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole.
What is the SMILES notation for 3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole?
The canonical SMILES for 3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole is CP1NC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole?
The InChIKey is GMCIDHARVSLZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N3P/c1-18-16-14(12-8-4-2-5-9-12)15-17(18)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,16).
What are the key properties of 3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole?
3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole has a molecular weight of 255.26 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-diphenyl-4H-1,2,4,3-triazaphosphole is sourced from PubChem (CID 23414785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).