N-(2-hydroxyethyl)-N-methylnitramide;nitric acid

C3H9N3O6 — CID 23619411

IUPACN-(2-hydroxyethyl)-N-methylnitramide;nitric acid
SMILESCN(CCO)[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C3H8N2O3.HNO3/c1-4(2-3-6)5(7)8;2-1(3)4/h6H,2-3H2,1H3;(H,2,3,4)
InChIKeyYQQXWZIRZGEYTB-UHFFFAOYSA-N
MW183.12 g/mol
LogP-1.25
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methylnitramide;nitric acid

N-(2-hydroxyethyl)-N-methylnitramide;nitric acid (PubChem CID 23619411) has the molecular formula C3H9N3O6 and a molecular weight of 183.12 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methylnitramide;nitric acid.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methylnitramide;nitric acid
PubChem CID23619411
Molecular FormulaC3H9N3O6
Molecular Weight183.12 g/mol
Exact Mass183.05
IUPAC NameN-(2-hydroxyethyl)-N-methylnitramide;nitric acid
SMILESCN(CCO)[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C3H8N2O3.HNO3/c1-4(2-3-6)5(7)8;2-1(3)4/h6H,2-3H2,1H3;(H,2,3,4)
InChIKeyYQQXWZIRZGEYTB-UHFFFAOYSA-N
XLogP-1.25
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-hydroxyethyl)-N-methylnitramide;nitric acid 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

N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide
CID 20123
N-methyl-N-(3-oxobutyl)nitramide
CID 119096366
nickel;nitric acid
CID 157159085
N-chloro-N-methylmethanamine;nitric acid
CID 88721738
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate
CID 159119713
N-butyl-N-(2-hydroxyethyl)nitramide
CID 15403519
nickel;nitric acid;heptahydrate
CID 173389970
nickel;nitric acid;nonahydrate
CID 173200755
nickel;bis(nitric acid);hexahydrate
CID 122130819
2-aminoethanol;bis(nitric acid)
CID 22257240
N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate
CID 158150352
ethanol;nitramide;bis(nitric acid)
CID 159870281

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methylnitramide;nitric acid?
The IUPAC name of N-(2-hydroxyethyl)-N-methylnitramide;nitric acid (CID 23619411) is N-(2-hydroxyethyl)-N-methylnitramide;nitric acid.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methylnitramide;nitric acid?
The canonical SMILES for N-(2-hydroxyethyl)-N-methylnitramide;nitric acid is CN(CCO)[N+](=O)[O-].O=[N+]([O-])O.
What is the InChIKey of N-(2-hydroxyethyl)-N-methylnitramide;nitric acid?
The InChIKey is YQQXWZIRZGEYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O3.HNO3/c1-4(2-3-6)5(7)8;2-1(3)4/h6H,2-3H2,1H3;(H,2,3,4).
What are the key properties of N-(2-hydroxyethyl)-N-methylnitramide;nitric acid?
N-(2-hydroxyethyl)-N-methylnitramide;nitric acid has a molecular weight of 183.12 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methylnitramide;nitric acid is sourced from PubChem (CID 23619411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).