1-methyl-3,5-diphenyl-1,2,4-diazaphosphole

C15H13N2P — CID 86106878

IUPAC1-methyl-3,5-diphenyl-1,2,4-diazaphosphole
SMILESCn1nc(-c2ccccc2)pc1-c1ccccc1
InChIInChI=1S/C15H13N2P/c1-17-15(13-10-6-3-7-11-13)18-14(16-17)12-8-4-2-5-9-12/h2-11H,1H3
InChIKeyPDWCIPPIYJLIGB-UHFFFAOYSA-N
MW252.26 g/mol
LogP4.33
Rot. Bonds2

About 1-methyl-3,5-diphenyl-1,2,4-diazaphosphole

1-methyl-3,5-diphenyl-1,2,4-diazaphosphole (PubChem CID 86106878) has the molecular formula C15H13N2P and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-methyl-3,5-diphenyl-1,2,4-diazaphosphole.

Molecular Properties

Compound Name1-methyl-3,5-diphenyl-1,2,4-diazaphosphole
PubChem CID86106878
Molecular FormulaC15H13N2P
Molecular Weight252.26 g/mol
Exact Mass252.08
IUPAC Name1-methyl-3,5-diphenyl-1,2,4-diazaphosphole
SMILESCn1nc(-c2ccccc2)pc1-c1ccccc1
InChIInChI=1S/C15H13N2P/c1-17-15(13-10-6-3-7-11-13)18-14(16-17)12-8-4-2-5-9-12/h2-11H,1H3
InChIKeyPDWCIPPIYJLIGB-UHFFFAOYSA-N
XLogP4.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Tert-butyl-1-methyl-3-phenyl-1,2,4-diazaphosphole
CID 13809684
3-Tert-butyl-1-methyl-5-phenyl-1,2,4-diazaphosphole
CID 13868933
1-Benzyl-3-phenyl-1,2,4-diazaphosphole
CID 13664986
3-Benzyl-5-phenyltriazaphosphole
CID 14000514
3,5-Diphenyl-4H-1,2,4-diazaphosphole
CID 14000518
3,5-Diphenyl-1,2-diaza-4-phosphanidacyclopenta-2,5-diene
CID 101861870
1-Methyl-3-phenyl-1,2,4-diazaphosphole
CID 13664982
1-Ethyl-5-methyl-3-phenyl-1,2,4-diazaphosphole
CID 13664985
3-Methyl-2,5-diphenyl-1,3,4-thiadiazol-3-ium
CID 12219177
3-tert-butyl-5-phenyl-4H-1,2,4-diazaphosphole
CID 15961913

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-diphenyl-1,2,4-diazaphosphole?
The IUPAC name of 1-methyl-3,5-diphenyl-1,2,4-diazaphosphole (CID 86106878) is 1-methyl-3,5-diphenyl-1,2,4-diazaphosphole.
What is the SMILES notation for 1-methyl-3,5-diphenyl-1,2,4-diazaphosphole?
The canonical SMILES for 1-methyl-3,5-diphenyl-1,2,4-diazaphosphole is Cn1nc(-c2ccccc2)pc1-c1ccccc1.
What is the InChIKey of 1-methyl-3,5-diphenyl-1,2,4-diazaphosphole?
The InChIKey is PDWCIPPIYJLIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N2P/c1-17-15(13-10-6-3-7-11-13)18-14(16-17)12-8-4-2-5-9-12/h2-11H,1H3.
What are the key properties of 1-methyl-3,5-diphenyl-1,2,4-diazaphosphole?
1-methyl-3,5-diphenyl-1,2,4-diazaphosphole has a molecular weight of 252.26 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-diphenyl-1,2,4-diazaphosphole is sourced from PubChem (CID 86106878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).