(2-diazohydrazinyl) dihydrogen phosphate

H3N4O4P — CID 151323854

IUPAC(2-diazohydrazinyl) dihydrogen phosphate
SMILES[N-]=[N+]=NNOP(=O)(O)O
InChIInChI=1S/H3N4O4P/c1-2-3-4-8-9(5,6)7/h4H,(H2,5,6,7)
InChIKeyOHAKMDKRKLNRNJ-UHFFFAOYSA-N
MW154.02 g/mol
LogP-0.17
Rot. Bonds3

About (2-diazohydrazinyl) dihydrogen phosphate

(2-diazohydrazinyl) dihydrogen phosphate (PubChem CID 151323854) has the molecular formula H3N4O4P and a molecular weight of 154.02 g/mol. Its IUPAC name is (2-diazohydrazinyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-diazohydrazinyl) dihydrogen phosphate
PubChem CID151323854
Molecular FormulaH3N4O4P
Molecular Weight154.02 g/mol
Exact Mass153.99
IUPAC Name(2-diazohydrazinyl) dihydrogen phosphate
SMILES[N-]=[N+]=NNOP(=O)(O)O
InChIInChI=1S/H3N4O4P/c1-2-3-4-8-9(5,6)7/h4H,(H2,5,6,7)
InChIKeyOHAKMDKRKLNRNJ-UHFFFAOYSA-N
XLogP-0.17
TPSA127.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.02
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2-diazohydrazinyl) 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

Frequently Asked Questions

What is the IUPAC name of (2-diazohydrazinyl) dihydrogen phosphate?
The IUPAC name of (2-diazohydrazinyl) dihydrogen phosphate (CID 151323854) is (2-diazohydrazinyl) dihydrogen phosphate.
What is the SMILES notation for (2-diazohydrazinyl) dihydrogen phosphate?
The canonical SMILES for (2-diazohydrazinyl) dihydrogen phosphate is [N-]=[N+]=NNOP(=O)(O)O.
What is the InChIKey of (2-diazohydrazinyl) dihydrogen phosphate?
The InChIKey is OHAKMDKRKLNRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N4O4P/c1-2-3-4-8-9(5,6)7/h4H,(H2,5,6,7).
What are the key properties of (2-diazohydrazinyl) dihydrogen phosphate?
(2-diazohydrazinyl) dihydrogen phosphate has a molecular weight of 154.02 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diazohydrazinyl) dihydrogen phosphate is sourced from PubChem (CID 151323854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).