azane;nitrous acid

H15N9O12 — CID 172699271

IUPACazane;nitrous acid
SMILESN.N.N.O=NO.O=NO.O=NO.O=NO.O=NO.O=NO
InChIInChI=1S/6HNO2.3H3N/c6*2-1-3;;;/h6*(H,2,3);3*1H3
InChIKeyCSXUFNIHWSSCPH-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.34
Rot. Bonds

About azane;nitrous acid

azane;nitrous acid (PubChem CID 172699271) has the molecular formula H15N9O12 and a molecular weight of 333.17 g/mol. Its IUPAC name is azane;nitrous acid.

Molecular Properties

Compound Nameazane;nitrous acid
PubChem CID172699271
Molecular FormulaH15N9O12
Molecular Weight333.17 g/mol
Exact Mass333.08
IUPAC Nameazane;nitrous acid
SMILESN.N.N.O=NO.O=NO.O=NO.O=NO.O=NO.O=NO
InChIInChI=1S/6HNO2.3H3N/c6*2-1-3;;;/h6*(H,2,3);3*1H3
InChIKeyCSXUFNIHWSSCPH-UHFFFAOYSA-N
XLogP1.34
TPSA402.96 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500333.17
LogP ≤ 51.34
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;nitrous acid?
The IUPAC name of azane;nitrous acid (CID 172699271) is azane;nitrous acid.
What is the SMILES notation for azane;nitrous acid?
The canonical SMILES for azane;nitrous acid is N.N.N.O=NO.O=NO.O=NO.O=NO.O=NO.O=NO.
What is the InChIKey of azane;nitrous acid?
The InChIKey is CSXUFNIHWSSCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/6HNO2.3H3N/c6*2-1-3;;;/h6*(H,2,3);3*1H3.
What are the key properties of azane;nitrous acid?
azane;nitrous acid has a molecular weight of 333.17 g/mol, XLogP of 1.34, 0 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nitrous acid is sourced from PubChem (CID 172699271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).