diaminophosphanylimino(oxo)methane

CH4N3OP — CID 71350775

IUPACdiaminophosphanylimino(oxo)methane
SMILESNP(N)N=C=O
InChIInChI=1S/CH4N3OP/c2-6(3)4-1-5/h2-3H2
InChIKeyRGNCRWZFEOKLNW-UHFFFAOYSA-N
MW105.04 g/mol
LogP-0.53
Rot. Bonds1

About diaminophosphanylimino(oxo)methane

diaminophosphanylimino(oxo)methane (PubChem CID 71350775) has the molecular formula CH4N3OP and a molecular weight of 105.04 g/mol. Its IUPAC name is diaminophosphanylimino(oxo)methane.

Molecular Properties

Compound Namediaminophosphanylimino(oxo)methane
PubChem CID71350775
Molecular FormulaCH4N3OP
Molecular Weight105.04 g/mol
Exact Mass105.01
IUPAC Namediaminophosphanylimino(oxo)methane
SMILESNP(N)N=C=O
InChIInChI=1S/CH4N3OP/c2-6(3)4-1-5/h2-3H2
InChIKeyRGNCRWZFEOKLNW-UHFFFAOYSA-N
XLogP-0.53
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.04
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethoxy(isocyanato)phosphane
CID 12510853
isocyanato(diphenyl)phosphane
CID 13101863
oxo(polanylimino)methane
CID 173033131
1,2-diisocyanatoethane;hydrazine
CID 155127889
trihydroxy(diisocyanato)-λ5-phosphane
CID 174888001
carbon dioxide;hydrazine
CID 161387256
potassium methanidylimino(oxo)methane
CID 151867234
CID 87698757
CID 87698757
bismuthane;isocyanatobismuthane
CID 173301787
[amino(isocyanato)phosphinothioyl]imino-oxomethane
CID 165358363
oxomethylidenecadmium;rhenium
CID 173440934
tetraisocyanatostannane
CID 141113751

Frequently Asked Questions

What is the IUPAC name of diaminophosphanylimino(oxo)methane?
The IUPAC name of diaminophosphanylimino(oxo)methane (CID 71350775) is diaminophosphanylimino(oxo)methane.
What is the SMILES notation for diaminophosphanylimino(oxo)methane?
The canonical SMILES for diaminophosphanylimino(oxo)methane is NP(N)N=C=O.
What is the InChIKey of diaminophosphanylimino(oxo)methane?
The InChIKey is RGNCRWZFEOKLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N3OP/c2-6(3)4-1-5/h2-3H2.
What are the key properties of diaminophosphanylimino(oxo)methane?
diaminophosphanylimino(oxo)methane has a molecular weight of 105.04 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diaminophosphanylimino(oxo)methane is sourced from PubChem (CID 71350775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).