(diaminomethylideneamino)oxy-methoxy-oxophosphanium

C2H7N3O3P+ — CID 57228873

IUPAC(diaminomethylideneamino)oxy-methoxy-oxophosphanium
SMILESCO[P+](=O)ON=C(N)N
InChIInChI=1S/C2H7N3O3P/c1-7-9(6)8-5-2(3)4/h1H3,(H4,3,4,5)/q+1
InChIKeyQQUJLBNOMJWDMJ-UHFFFAOYSA-N
MW152.07 g/mol
LogP-0.50
Rot. Bonds3

About (diaminomethylideneamino)oxy-methoxy-oxophosphanium

(diaminomethylideneamino)oxy-methoxy-oxophosphanium (PubChem CID 57228873) has the molecular formula C2H7N3O3P+ and a molecular weight of 152.07 g/mol. Its IUPAC name is (diaminomethylideneamino)oxy-methoxy-oxophosphanium.

Molecular Properties

Compound Name(diaminomethylideneamino)oxy-methoxy-oxophosphanium
PubChem CID57228873
Molecular FormulaC2H7N3O3P+
Molecular Weight152.07 g/mol
Exact Mass152.02
IUPAC Name(diaminomethylideneamino)oxy-methoxy-oxophosphanium
SMILESCO[P+](=O)ON=C(N)N
InChIInChI=1S/C2H7N3O3P/c1-7-9(6)8-5-2(3)4/h1H3,(H4,3,4,5)/q+1
InChIKeyQQUJLBNOMJWDMJ-UHFFFAOYSA-N
XLogP-0.50
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (diaminomethylideneamino)oxy-methoxy-oxophosphanium?
The IUPAC name of (diaminomethylideneamino)oxy-methoxy-oxophosphanium (CID 57228873) is (diaminomethylideneamino)oxy-methoxy-oxophosphanium.
What is the SMILES notation for (diaminomethylideneamino)oxy-methoxy-oxophosphanium?
The canonical SMILES for (diaminomethylideneamino)oxy-methoxy-oxophosphanium is CO[P+](=O)ON=C(N)N.
What is the InChIKey of (diaminomethylideneamino)oxy-methoxy-oxophosphanium?
The InChIKey is QQUJLBNOMJWDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3O3P/c1-7-9(6)8-5-2(3)4/h1H3,(H4,3,4,5)/q+1.
What are the key properties of (diaminomethylideneamino)oxy-methoxy-oxophosphanium?
(diaminomethylideneamino)oxy-methoxy-oxophosphanium has a molecular weight of 152.07 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (diaminomethylideneamino)oxy-methoxy-oxophosphanium is sourced from PubChem (CID 57228873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).