N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid

C7H6N6O11 — CID 88518271

IUPACN-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid
SMILESCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C7H5N5O8.HNO3/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18;2-1(3)4/h2-3H,1H3;(H,2,3,4)
InChIKeyNFEYYGZCGSQLCX-UHFFFAOYSA-N
MW350.16 g/mol
LogP0.69
Rot. Bonds5

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

N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid (PubChem CID 88518271) has the molecular formula C7H6N6O11 and a molecular weight of 350.16 g/mol. Its IUPAC name is N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid.

Molecular Properties

Compound NameN-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid
PubChem CID88518271
Molecular FormulaC7H6N6O11
Molecular Weight350.16 g/mol
Exact Mass350.01
IUPAC NameN-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid
SMILESCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C7H5N5O8.HNO3/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18;2-1(3)4/h2-3H,1H3;(H,2,3,4)
InChIKeyNFEYYGZCGSQLCX-UHFFFAOYSA-N
XLogP0.69
TPSA239.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

1-methyl-1-(2,4,6-trinitrophenyl)hydrazine
CID 3335139
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
titanium;2,4,6-trinitrophenol
CID 175328132
CID 87277719
CID 87277719
cobalt;2,4,6-trinitrophenol
CID 88826081
thorium;2,4,6-trinitrophenol
CID 88723018
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
2-methoxy-N,N-dimethyl-4,6-dinitroaniline
CID 50879932
2-hydroxy-N,N-dimethyl-3,5-dinitrobenzamide
CID 3428904
alumane;2,4,6-trinitrophenol;hydrate
CID 173341136
barium(2+);hydride;2,4,6-trinitrophenol
CID 173341172
2-methyl-1,3,5-trinitrobenzene
CID 87172748

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid?
The IUPAC name of N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid (CID 88518271) is N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid.
What is the SMILES notation for N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid?
The canonical SMILES for N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid is CN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-].O=[N+]([O-])O.
What is the InChIKey of N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid?
The InChIKey is NFEYYGZCGSQLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O8.HNO3/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18;2-1(3)4/h2-3H,1H3;(H,2,3,4).
What are the key properties of N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid?
N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid has a molecular weight of 350.16 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid is sourced from PubChem (CID 88518271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).