1,3-diaminourea;phosphane

CH9N4OP — CID 159962214

IUPAC1,3-diaminourea;phosphane
SMILESNNC(=O)NN.P
InChIInChI=1S/CH6N4O.H3P/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);1H3
InChIKeyODMBHUMAFJISSV-UHFFFAOYSA-N
MW124.08 g/mol
LogP-1.91
Rot. Bonds

About 1,3-diaminourea;phosphane

1,3-diaminourea;phosphane (PubChem CID 159962214) has the molecular formula CH9N4OP and a molecular weight of 124.08 g/mol. Its IUPAC name is 1,3-diaminourea;phosphane.

Molecular Properties

Compound Name1,3-diaminourea;phosphane
PubChem CID159962214
Molecular FormulaCH9N4OP
Molecular Weight124.08 g/mol
Exact Mass124.05
IUPAC Name1,3-diaminourea;phosphane
SMILESNNC(=O)NN.P
InChIInChI=1S/CH6N4O.H3P/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);1H3
InChIKeyODMBHUMAFJISSV-UHFFFAOYSA-N
XLogP-1.91
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.08
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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1,3-diaminourea;piperidine
CID 159999921
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Frequently Asked Questions

What is the IUPAC name of 1,3-diaminourea;phosphane?
The IUPAC name of 1,3-diaminourea;phosphane (CID 159962214) is 1,3-diaminourea;phosphane.
What is the SMILES notation for 1,3-diaminourea;phosphane?
The canonical SMILES for 1,3-diaminourea;phosphane is NNC(=O)NN.P.
What is the InChIKey of 1,3-diaminourea;phosphane?
The InChIKey is ODMBHUMAFJISSV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N4O.H3P/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);1H3.
What are the key properties of 1,3-diaminourea;phosphane?
1,3-diaminourea;phosphane has a molecular weight of 124.08 g/mol, XLogP of -1.91, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminourea;phosphane is sourced from PubChem (CID 159962214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).