1-methyl-1-(2,4,6-trinitrophenyl)hydrazine

C7H7N5O6 — CID 3335139

IUPAC1-methyl-1-(2,4,6-trinitrophenyl)hydrazine
SMILESCN(N)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H7N5O6/c1-9(8)7-5(11(15)16)2-4(10(13)14)3-6(7)12(17)18/h2-3H,8H2,1H3
InChIKeyYSUZLFYUCYKIEL-UHFFFAOYSA-N
MW257.16 g/mol
LogP0.72
Rot. Bonds4

About 1-methyl-1-(2,4,6-trinitrophenyl)hydrazine

1-methyl-1-(2,4,6-trinitrophenyl)hydrazine (PubChem CID 3335139) has the molecular formula C7H7N5O6 and a molecular weight of 257.16 g/mol. Its IUPAC name is 1-methyl-1-(2,4,6-trinitrophenyl)hydrazine.

Molecular Properties

Compound Name1-methyl-1-(2,4,6-trinitrophenyl)hydrazine
PubChem CID3335139
Molecular FormulaC7H7N5O6
Molecular Weight257.16 g/mol
Exact Mass257.04
IUPAC Name1-methyl-1-(2,4,6-trinitrophenyl)hydrazine
SMILESCN(N)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H7N5O6/c1-9(8)7-5(11(15)16)2-4(10(13)14)3-6(7)12(17)18/h2-3H,8H2,1H3
InChIKeyYSUZLFYUCYKIEL-UHFFFAOYSA-N
XLogP0.72
TPSA158.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid
CID 88518271
2-methoxy-N,N-dimethyl-4,6-dinitroaniline
CID 50879932
2-methyl-1,3,5-trinitrobenzene
CID 87172748
2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
CID 8576
calcium bis(2,4,6-trinitrophenolate)
CID 517024
strontium bis(2,4,6-trinitrophenolate)
CID 90471623
1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine
CID 172790717
potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
CID 173446524
N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)methanimidamide
CID 3326846
2-hydroxy-N,N-dimethyl-3,5-dinitrobenzamide
CID 3428904
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
cobalt;2,4,6-trinitrophenol
CID 88826081

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2,4,6-trinitrophenyl)hydrazine?
The IUPAC name of 1-methyl-1-(2,4,6-trinitrophenyl)hydrazine (CID 3335139) is 1-methyl-1-(2,4,6-trinitrophenyl)hydrazine.
What is the SMILES notation for 1-methyl-1-(2,4,6-trinitrophenyl)hydrazine?
The canonical SMILES for 1-methyl-1-(2,4,6-trinitrophenyl)hydrazine is CN(N)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-1-(2,4,6-trinitrophenyl)hydrazine?
The InChIKey is YSUZLFYUCYKIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O6/c1-9(8)7-5(11(15)16)2-4(10(13)14)3-6(7)12(17)18/h2-3H,8H2,1H3.
What are the key properties of 1-methyl-1-(2,4,6-trinitrophenyl)hydrazine?
1-methyl-1-(2,4,6-trinitrophenyl)hydrazine has a molecular weight of 257.16 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2,4,6-trinitrophenyl)hydrazine is sourced from PubChem (CID 3335139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).