sodium;methylurea;nitrite

C2H6N3NaO3 — CID 23667525

IUPACsodium;methylurea;nitrite
SMILESCNC(N)=O.O=N[O-].[Na+]
InChIInChI=1S/C2H6N2O.HNO2.Na/c1-4-2(3)5;2-1-3;/h1H3,(H3,3,4,5);(H,2,3);/q;;+1/p-1
InChIKeyWBXZPIIPCGQRTG-UHFFFAOYSA-M
MW143.08 g/mol
LogP-3.46
Rot. Bonds

About sodium;methylurea;nitrite

sodium;methylurea;nitrite (PubChem CID 23667525) has the molecular formula C2H6N3NaO3 and a molecular weight of 143.08 g/mol. Its IUPAC name is sodium;methylurea;nitrite.

Molecular Properties

Compound Namesodium;methylurea;nitrite
PubChem CID23667525
Molecular FormulaC2H6N3NaO3
Molecular Weight143.08 g/mol
Exact Mass143.03
IUPAC Namesodium;methylurea;nitrite
SMILESCNC(N)=O.O=N[O-].[Na+]
InChIInChI=1S/C2H6N2O.HNO2.Na/c1-4-2(3)5;2-1-3;/h1H3,(H3,3,4,5);(H,2,3);/q;;+1/p-1
InChIKeyWBXZPIIPCGQRTG-UHFFFAOYSA-M
XLogP-3.46
TPSA107.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.08
LogP ≤ 5-3.46
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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Frequently Asked Questions

What is the IUPAC name of sodium;methylurea;nitrite?
The IUPAC name of sodium;methylurea;nitrite (CID 23667525) is sodium;methylurea;nitrite.
What is the SMILES notation for sodium;methylurea;nitrite?
The canonical SMILES for sodium;methylurea;nitrite is CNC(N)=O.O=N[O-].[Na+].
What is the InChIKey of sodium;methylurea;nitrite?
The InChIKey is WBXZPIIPCGQRTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6N2O.HNO2.Na/c1-4-2(3)5;2-1-3;/h1H3,(H3,3,4,5);(H,2,3);/q;;+1/p-1.
What are the key properties of sodium;methylurea;nitrite?
sodium;methylurea;nitrite has a molecular weight of 143.08 g/mol, XLogP of -3.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methylurea;nitrite is sourced from PubChem (CID 23667525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).