azane;N-nitronitramide

H4N4O4 — CID 173137160

About azane;N-nitronitramide

azane;N-nitronitramide (PubChem CID 173137160) has the molecular formula H4N4O4 and a molecular weight of 124.06 g/mol. Its IUPAC name is azane;N-nitronitramide.

Molecular Properties

• Compound Name: azane;N-nitronitramide
• PubChem CID: 173137160
• Molecular Formula: H4N4O4
• Molecular Weight: 124.06 g/mol
• Exact Mass: 124.02
• IUPAC Name: azane;N-nitronitramide
• SMILES: N.O=[N+]([O-])N[N+](=O)[O-]
• InChI: InChI=1S/HN3O4.H3N/c4-2(5)1-3(6)7;/h1H;1H3
• InChIKey: OGTKRUYCBGJWBV-UHFFFAOYSA-N
• XLogP: -0.88
• TPSA: 133.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	124.06
LogP ≤ 5	-0.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;N-nitronitramide?

The IUPAC name of azane;N-nitronitramide (CID 173137160) is azane;N-nitronitramide.

What is the SMILES notation for azane;N-nitronitramide?

The canonical SMILES for azane;N-nitronitramide is N.O=[N+]([O-])N[N+](=O)[O-].

What is the InChIKey of azane;N-nitronitramide?

The InChIKey is OGTKRUYCBGJWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/HN3O4.H3N/c4-2(5)1-3(6)7;/h1H;1H3.

What are the key properties of azane;N-nitronitramide?

azane;N-nitronitramide has a molecular weight of 124.06 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for azane;N-nitronitramide is sourced from PubChem (CID 173137160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).