3-phenyl-4H-1,2,4-diazaphosphole

C8H7N2P — CID 23413742

IUPAC3-phenyl-4H-1,2,4-diazaphosphole
SMILESc1ccc(-c2nnc[pH]2)cc1
InChIInChI=1S/C8H7N2P/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6,11H
InChIKeyBJCCRVYUUGDLGP-UHFFFAOYSA-N
MW162.13 g/mol
LogP2.17
Rot. Bonds1

About 3-phenyl-4H-1,2,4-diazaphosphole

3-phenyl-4H-1,2,4-diazaphosphole (PubChem CID 23413742) has the molecular formula C8H7N2P and a molecular weight of 162.13 g/mol. Its IUPAC name is 3-phenyl-4H-1,2,4-diazaphosphole.

Molecular Properties

Compound Name3-phenyl-4H-1,2,4-diazaphosphole
PubChem CID23413742
Molecular FormulaC8H7N2P
Molecular Weight162.13 g/mol
Exact Mass162.03
IUPAC Name3-phenyl-4H-1,2,4-diazaphosphole
SMILESc1ccc(-c2nnc[pH]2)cc1
InChIInChI=1S/C8H7N2P/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6,11H
InChIKeyBJCCRVYUUGDLGP-UHFFFAOYSA-N
XLogP2.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4H-1,2,4-diazaphosphole?
The IUPAC name of 3-phenyl-4H-1,2,4-diazaphosphole (CID 23413742) is 3-phenyl-4H-1,2,4-diazaphosphole.
What is the SMILES notation for 3-phenyl-4H-1,2,4-diazaphosphole?
The canonical SMILES for 3-phenyl-4H-1,2,4-diazaphosphole is c1ccc(-c2nnc[pH]2)cc1.
What is the InChIKey of 3-phenyl-4H-1,2,4-diazaphosphole?
The InChIKey is BJCCRVYUUGDLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2P/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6,11H.
What are the key properties of 3-phenyl-4H-1,2,4-diazaphosphole?
3-phenyl-4H-1,2,4-diazaphosphole has a molecular weight of 162.13 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4H-1,2,4-diazaphosphole is sourced from PubChem (CID 23413742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).