sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite

C8H26N11NaO6 — CID 158698229

IUPACsodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite
SMILESCNC(=O)N(C)N=O.CNC(=O)NC.CNC(=O)NN.NN.O=N[O-].[Na+]
InChIInChI=1S/C3H7N3O2.C3H8N2O.C2H7N3O.H4N2.HNO2.Na/c1-4-3(7)6(2)5-8;1-4-3(6)5-2;1-4-2(6)5-3;1-2;2-1-3;/h1-2H3,(H,4,7);1-2H3,(H2,4,5,6);3H2,1H3,(H2,4,5,6);1-2H2;(H,2,3);/q;;;;;+1/p-1
InChIKeyIHFCQZJIIQVANN-UHFFFAOYSA-M
MW395.36 g/mol
LogP-5.65
Rot. Bonds1

About sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite

sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite (PubChem CID 158698229) has the molecular formula C8H26N11NaO6 and a molecular weight of 395.36 g/mol. Its IUPAC name is sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite.

Molecular Properties

Compound Namesodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite
PubChem CID158698229
Molecular FormulaC8H26N11NaO6
Molecular Weight395.36 g/mol
Exact Mass395.20
IUPAC Namesodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite
SMILESCNC(=O)N(C)N=O.CNC(=O)NC.CNC(=O)NN.NN.O=N[O-].[Na+]
InChIInChI=1S/C3H7N3O2.C3H8N2O.C2H7N3O.H4N2.HNO2.Na/c1-4-3(7)6(2)5-8;1-4-3(6)5-2;1-4-2(6)5-3;1-2;2-1-3;/h1-2H3,(H,4,7);1-2H3,(H2,4,5,6);3H2,1H3,(H2,4,5,6);1-2H2;(H,2,3);/q;;;;;+1/p-1
InChIKeyIHFCQZJIIQVANN-UHFFFAOYSA-M
XLogP-5.65
TPSA274.58 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500395.36
LogP ≤ 5-5.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite?
The IUPAC name of sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite (CID 158698229) is sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite.
What is the SMILES notation for sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite?
The canonical SMILES for sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite is CNC(=O)N(C)N=O.CNC(=O)NC.CNC(=O)NN.NN.O=N[O-].[Na+].
What is the InChIKey of sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite?
The InChIKey is IHFCQZJIIQVANN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7N3O2.C3H8N2O.C2H7N3O.H4N2.HNO2.Na/c1-4-3(7)6(2)5-8;1-4-3(6)5-2;1-4-2(6)5-3;1-2;2-1-3;/h1-2H3,(H,4,7);1-2H3,(H2,4,5,6);3H2,1H3,(H2,4,5,6);1-2H2;(H,2,3);/q;;;;;+1/p-1.
What are the key properties of sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite?
sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite has a molecular weight of 395.36 g/mol, XLogP of -5.65, 1 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-amino-3-methylurea;1,3-dimethyl-1-nitrosourea;1,3-dimethylurea;hydrazine;nitrite is sourced from PubChem (CID 158698229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).