azane;nitro dihydrogen phosphate

H5N2O6P — CID 172846908

IUPACazane;nitro dihydrogen phosphate
SMILESN.O=[N+]([O-])OP(=O)(O)O
InChIInChI=1S/H2NO6P.H3N/c2-1(3)7-8(4,5)6;/h(H2,4,5,6);1H3
InChIKeyXNWJKJOEHGCJDA-UHFFFAOYSA-N
MW160.02 g/mol
LogP-0.55
Rot. Bonds2

About azane;nitro dihydrogen phosphate

azane;nitro dihydrogen phosphate (PubChem CID 172846908) has the molecular formula H5N2O6P and a molecular weight of 160.02 g/mol. Its IUPAC name is azane;nitro dihydrogen phosphate.

Molecular Properties

Compound Nameazane;nitro dihydrogen phosphate
PubChem CID172846908
Molecular FormulaH5N2O6P
Molecular Weight160.02 g/mol
Exact Mass159.99
IUPAC Nameazane;nitro dihydrogen phosphate
SMILESN.O=[N+]([O-])OP(=O)(O)O
InChIInChI=1S/H2NO6P.H3N/c2-1(3)7-8(4,5)6;/h(H2,4,5,6);1H3
InChIKeyXNWJKJOEHGCJDA-UHFFFAOYSA-N
XLogP-0.55
TPSA144.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.02
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze azane;nitro dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

disodium;hydride;nitro dihydrogen phosphate;nitrous acid
CID 174909653
dinitro hydrogen phosphate
CID 18673450
potassium;azane;phosphoric acid;nitrate
CID 174851331
azane;nitric acid;phosphoric acid
CID 173051793
nitro sulfo hydrogen phosphate
CID 154295491
azane;hydron;phosphono dihydrogen phosphate
CID 173267420
potassium;azane;dihydrogen phosphate;nitric acid
CID 173012620
potassium;azane;nitric acid;phosphoric acid;nitrate
CID 174647976
potassium;azane;nitric acid;phosphoric acid;nitrate
CID 174659814
azane;cadmium(2+);hydrogen phosphate
CID 170850402
silver;phosphoric acid;nitrate;hydrochloride
CID 174586794
CID 172744978
CID 172744978

Frequently Asked Questions

What is the IUPAC name of azane;nitro dihydrogen phosphate?
The IUPAC name of azane;nitro dihydrogen phosphate (CID 172846908) is azane;nitro dihydrogen phosphate.
What is the SMILES notation for azane;nitro dihydrogen phosphate?
The canonical SMILES for azane;nitro dihydrogen phosphate is N.O=[N+]([O-])OP(=O)(O)O.
What is the InChIKey of azane;nitro dihydrogen phosphate?
The InChIKey is XNWJKJOEHGCJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/H2NO6P.H3N/c2-1(3)7-8(4,5)6;/h(H2,4,5,6);1H3.
What are the key properties of azane;nitro dihydrogen phosphate?
azane;nitro dihydrogen phosphate has a molecular weight of 160.02 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nitro dihydrogen phosphate is sourced from PubChem (CID 172846908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).