N-methyl-N-(2,4,6-trinitrophenyl)nitramide

C7H5N5O8 — CID 10178

IUPACN-methyl-N-(2,4,6-trinitrophenyl)nitramide
SMILESCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3
InChIKeyAGUIVNYEYSCPNI-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.04
Rot. Bonds5

About N-methyl-N-(2,4,6-trinitrophenyl)nitramide

N-methyl-N-(2,4,6-trinitrophenyl)nitramide (PubChem CID 10178) has the molecular formula C7H5N5O8 and a molecular weight of 287.14 g/mol. Its IUPAC name is N-methyl-N-(2,4,6-trinitrophenyl)nitramide.

Molecular Properties

Compound NameN-methyl-N-(2,4,6-trinitrophenyl)nitramide
PubChem CID10178
Molecular FormulaC7H5N5O8
Molecular Weight287.14 g/mol
Exact Mass287.01
IUPAC NameN-methyl-N-(2,4,6-trinitrophenyl)nitramide
SMILESCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3
InChIKeyAGUIVNYEYSCPNI-UHFFFAOYSA-N
XLogP1.04
TPSA175.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

Dipicrylamine
CID 8576
N-ethyl-2,4-dinitroaniline
CID 77454
1-(2,4-Dinitrophenyl)piperidine
CID 225454
N-Methyl-4-nitro-N-nitrosobenzenamine
CID 13671
N,N-Diethyl-2,4-dinitroaniline
CID 70045
N-Butyl-2,4-dinitroaniline
CID 260939
N-Isopropyl-2,4-dinitroaniline
CID 347451
N2-(2,4-Dinitrophenyl)-N1,N1-diethyl-1,2-ethanediamine
CID 41793
N,N-Diethyl-5-fluoro-2,4-dinitrobenzenamine
CID 81328
(2,4-Dinitrophenyl)ethylenediamine
CID 168833
1-(2,4-Dinitrophenyl)-1-methylhydrazine
CID 261500
N,N-dimethyl-2,4,6-trinitroaniline
CID 75610

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,4,6-trinitrophenyl)nitramide?
The IUPAC name of N-methyl-N-(2,4,6-trinitrophenyl)nitramide (CID 10178) is N-methyl-N-(2,4,6-trinitrophenyl)nitramide.
What is the SMILES notation for N-methyl-N-(2,4,6-trinitrophenyl)nitramide?
The canonical SMILES for N-methyl-N-(2,4,6-trinitrophenyl)nitramide is CN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of N-methyl-N-(2,4,6-trinitrophenyl)nitramide?
The InChIKey is AGUIVNYEYSCPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3.
What are the key properties of N-methyl-N-(2,4,6-trinitrophenyl)nitramide?
N-methyl-N-(2,4,6-trinitrophenyl)nitramide has a molecular weight of 287.14 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,4,6-trinitrophenyl)nitramide is sourced from PubChem (CID 10178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).