1,3,5-diazaphosphinine

C3H3N2P — CID 57088843

IUPAC1,3,5-diazaphosphinine
SMILESc1ncpcn1
InChIInChI=1S/C3H3N2P/c1-4-2-6-3-5-1/h1-3H
InChIKeyRNGYTUUZJAGRBR-UHFFFAOYSA-N
MW98.04 g/mol
LogP1.06
Rot. Bonds

About 1,3,5-diazaphosphinine

1,3,5-diazaphosphinine (PubChem CID 57088843) has the molecular formula C3H3N2P and a molecular weight of 98.04 g/mol. Its IUPAC name is 1,3,5-diazaphosphinine.

Molecular Properties

Compound Name1,3,5-diazaphosphinine
PubChem CID57088843
Molecular FormulaC3H3N2P
Molecular Weight98.04 g/mol
Exact Mass98.00
IUPAC Name1,3,5-diazaphosphinine
SMILESc1ncpcn1
InChIInChI=1S/C3H3N2P/c1-4-2-6-3-5-1/h1-3H
InChIKeyRNGYTUUZJAGRBR-UHFFFAOYSA-N
XLogP1.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.04
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-diazaphosphinine?
The IUPAC name of 1,3,5-diazaphosphinine (CID 57088843) is 1,3,5-diazaphosphinine.
What is the SMILES notation for 1,3,5-diazaphosphinine?
The canonical SMILES for 1,3,5-diazaphosphinine is c1ncpcn1.
What is the InChIKey of 1,3,5-diazaphosphinine?
The InChIKey is RNGYTUUZJAGRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2P/c1-4-2-6-3-5-1/h1-3H.
What are the key properties of 1,3,5-diazaphosphinine?
1,3,5-diazaphosphinine has a molecular weight of 98.04 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-diazaphosphinine is sourced from PubChem (CID 57088843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).