N-acetyl-N-[acetyl(nitro)amino]nitramide

C4H6N4O6 — CID 14897440

IUPACN-acetyl-N-[acetyl(nitro)amino]nitramide
SMILESCC(=O)N(N(C(C)=O)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C4H6N4O6/c1-3(9)5(7(11)12)6(4(2)10)8(13)14/h1-2H3
InChIKeyGFISFUOWFGVYKT-UHFFFAOYSA-N
MW206.11 g/mol
LogP-1.02
Rot. Bonds2

About N-acetyl-N-[acetyl(nitro)amino]nitramide

N-acetyl-N-[acetyl(nitro)amino]nitramide (PubChem CID 14897440) has the molecular formula C4H6N4O6 and a molecular weight of 206.11 g/mol. Its IUPAC name is N-acetyl-N-[acetyl(nitro)amino]nitramide.

Molecular Properties

Compound NameN-acetyl-N-[acetyl(nitro)amino]nitramide
PubChem CID14897440
Molecular FormulaC4H6N4O6
Molecular Weight206.11 g/mol
Exact Mass206.03
IUPAC NameN-acetyl-N-[acetyl(nitro)amino]nitramide
SMILESCC(=O)N(N(C(C)=O)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C4H6N4O6/c1-3(9)5(7(11)12)6(4(2)10)8(13)14/h1-2H3
InChIKeyGFISFUOWFGVYKT-UHFFFAOYSA-N
XLogP-1.02
TPSA126.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze N-acetyl-N-[acetyl(nitro)amino]nitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

silver;acetamide;nitrate;hydrobromide
CID 174892203
calcium;acetate;nitrate
CID 175242971
bis(cerium(3+));acetate;nitrate
CID 22023657
acetic acid;cobalt(3+);trinitrate
CID 174400118
nitric acid;bis(ruthenium(3+));hexaacetate
CID 172717903
azanium;sodium;acetate;nitrate
CID 141287882
N-methyl-N-(3-oxobutyl)nitramide
CID 119096366
[acetyloxymethyl(nitro)amino]methyl acetate
CID 13352139
N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide
CID 20123
hydrazine;silver;acetate;nitrate
CID 175333281
potassium;sodium;acetate;nitrate;trihydrate
CID 171618284
manganese(2+);nickel(2+);carbonate;nitrate
CID 18466416

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[acetyl(nitro)amino]nitramide?
The IUPAC name of N-acetyl-N-[acetyl(nitro)amino]nitramide (CID 14897440) is N-acetyl-N-[acetyl(nitro)amino]nitramide.
What is the SMILES notation for N-acetyl-N-[acetyl(nitro)amino]nitramide?
The canonical SMILES for N-acetyl-N-[acetyl(nitro)amino]nitramide is CC(=O)N(N(C(C)=O)[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of N-acetyl-N-[acetyl(nitro)amino]nitramide?
The InChIKey is GFISFUOWFGVYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O6/c1-3(9)5(7(11)12)6(4(2)10)8(13)14/h1-2H3.
What are the key properties of N-acetyl-N-[acetyl(nitro)amino]nitramide?
N-acetyl-N-[acetyl(nitro)amino]nitramide has a molecular weight of 206.11 g/mol, XLogP of -1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[acetyl(nitro)amino]nitramide is sourced from PubChem (CID 14897440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).