sodium;urea;nitrite

CH4N3NaO3 — CID 161284213

IUPACsodium;urea;nitrite
SMILESNC(N)=O.O=N[O-].[Na+]
InChIInChI=1S/CH4N2O.HNO2.Na/c2-1(3)4;2-1-3;/h(H4,2,3,4);(H,2,3);/q;;+1/p-1
InChIKeyVFMPIADMFBRPAO-UHFFFAOYSA-M
MW129.05 g/mol
LogP-3.72
Rot. Bonds

About sodium;urea;nitrite

sodium;urea;nitrite (PubChem CID 161284213) has the molecular formula CH4N3NaO3 and a molecular weight of 129.05 g/mol. Its IUPAC name is sodium;urea;nitrite.

Molecular Properties

Compound Namesodium;urea;nitrite
PubChem CID161284213
Molecular FormulaCH4N3NaO3
Molecular Weight129.05 g/mol
Exact Mass129.02
IUPAC Namesodium;urea;nitrite
SMILESNC(N)=O.O=N[O-].[Na+]
InChIInChI=1S/CH4N2O.HNO2.Na/c2-1(3)4;2-1-3;/h(H4,2,3,4);(H,2,3);/q;;+1/p-1
InChIKeyVFMPIADMFBRPAO-UHFFFAOYSA-M
XLogP-3.72
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.05
LogP ≤ 5-3.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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sodium;cobalt(2+);hydride;dinitrite
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Frequently Asked Questions

What is the IUPAC name of sodium;urea;nitrite?
The IUPAC name of sodium;urea;nitrite (CID 161284213) is sodium;urea;nitrite.
What is the SMILES notation for sodium;urea;nitrite?
The canonical SMILES for sodium;urea;nitrite is NC(N)=O.O=N[O-].[Na+].
What is the InChIKey of sodium;urea;nitrite?
The InChIKey is VFMPIADMFBRPAO-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4N2O.HNO2.Na/c2-1(3)4;2-1-3;/h(H4,2,3,4);(H,2,3);/q;;+1/p-1.
What are the key properties of sodium;urea;nitrite?
sodium;urea;nitrite has a molecular weight of 129.05 g/mol, XLogP of -3.72, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;urea;nitrite is sourced from PubChem (CID 161284213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).