3-phosphanyloxirane-2,2,3-triamine

C2H8N3OP — CID 163415419

IUPAC3-phosphanyloxirane-2,2,3-triamine
SMILESNC1(N)OC1(N)P
InChIInChI=1S/C2H8N3OP/c3-1(4)2(5,7)6-1/h3-5,7H2
InChIKeyADYUNPCQINLPJP-UHFFFAOYSA-N
MW121.08 g/mol
LogP-1.92
Rot. Bonds

About 3-phosphanyloxirane-2,2,3-triamine

3-phosphanyloxirane-2,2,3-triamine (PubChem CID 163415419) has the molecular formula C2H8N3OP and a molecular weight of 121.08 g/mol. Its IUPAC name is 3-phosphanyloxirane-2,2,3-triamine.

Molecular Properties

Compound Name3-phosphanyloxirane-2,2,3-triamine
PubChem CID163415419
Molecular FormulaC2H8N3OP
Molecular Weight121.08 g/mol
Exact Mass121.04
IUPAC Name3-phosphanyloxirane-2,2,3-triamine
SMILESNC1(N)OC1(N)P
InChIInChI=1S/C2H8N3OP/c3-1(4)2(5,7)6-1/h3-5,7H2
InChIKeyADYUNPCQINLPJP-UHFFFAOYSA-N
XLogP-1.92
TPSA90.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.08
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phosphanyloxirane-2,2,3-triamine?
The IUPAC name of 3-phosphanyloxirane-2,2,3-triamine (CID 163415419) is 3-phosphanyloxirane-2,2,3-triamine.
What is the SMILES notation for 3-phosphanyloxirane-2,2,3-triamine?
The canonical SMILES for 3-phosphanyloxirane-2,2,3-triamine is NC1(N)OC1(N)P.
What is the InChIKey of 3-phosphanyloxirane-2,2,3-triamine?
The InChIKey is ADYUNPCQINLPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N3OP/c3-1(4)2(5,7)6-1/h3-5,7H2.
What are the key properties of 3-phosphanyloxirane-2,2,3-triamine?
3-phosphanyloxirane-2,2,3-triamine has a molecular weight of 121.08 g/mol, XLogP of -1.92, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanyloxirane-2,2,3-triamine is sourced from PubChem (CID 163415419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).