N-(2,4,6-trinitroanilino)hydroxylamine

C6H5N5O7 — CID 174855795

IUPACN-(2,4,6-trinitroanilino)hydroxylamine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(NNO)c([N+](=O)[O-])c1
InChIInChI=1S/C6H5N5O7/c12-8-7-6-4(10(15)16)1-3(9(13)14)2-5(6)11(17)18/h1-2,7-8,12H
InChIKeyOAMNHMHDZCNMLP-UHFFFAOYSA-N
MW259.13 g/mol
LogP0.72
Rot. Bonds5

About N-(2,4,6-trinitroanilino)hydroxylamine

N-(2,4,6-trinitroanilino)hydroxylamine (PubChem CID 174855795) has the molecular formula C6H5N5O7 and a molecular weight of 259.13 g/mol. Its IUPAC name is N-(2,4,6-trinitroanilino)hydroxylamine.

Molecular Properties

Compound NameN-(2,4,6-trinitroanilino)hydroxylamine
PubChem CID174855795
Molecular FormulaC6H5N5O7
Molecular Weight259.13 g/mol
Exact Mass259.02
IUPAC NameN-(2,4,6-trinitroanilino)hydroxylamine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(NNO)c([N+](=O)[O-])c1
InChIInChI=1S/C6H5N5O7/c12-8-7-6-4(10(15)16)1-3(9(13)14)2-5(6)11(17)18/h1-2,7-8,12H
InChIKeyOAMNHMHDZCNMLP-UHFFFAOYSA-N
XLogP0.72
TPSA173.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
CID 8576
potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
CID 173446524
cobalt;2,4,6-trinitrophenol
CID 88826081
thorium;2,4,6-trinitrophenol
CID 88723018
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
CID 87277719
CID 87277719
titanium;2,4,6-trinitrophenol
CID 175328132
2,4,6-trinitro-N-(4-nitrophenyl)aniline
CID 631601
1,3,5-trinitro-2-nitrosobenzene
CID 12734724
alumane;2,4,6-trinitrophenol;hydrate
CID 173341136
barium(2+);hydride;2,4,6-trinitrophenol
CID 173341172

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trinitroanilino)hydroxylamine?
The IUPAC name of N-(2,4,6-trinitroanilino)hydroxylamine (CID 174855795) is N-(2,4,6-trinitroanilino)hydroxylamine.
What is the SMILES notation for N-(2,4,6-trinitroanilino)hydroxylamine?
The canonical SMILES for N-(2,4,6-trinitroanilino)hydroxylamine is O=[N+]([O-])c1cc([N+](=O)[O-])c(NNO)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,4,6-trinitroanilino)hydroxylamine?
The InChIKey is OAMNHMHDZCNMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O7/c12-8-7-6-4(10(15)16)1-3(9(13)14)2-5(6)11(17)18/h1-2,7-8,12H.
What are the key properties of N-(2,4,6-trinitroanilino)hydroxylamine?
N-(2,4,6-trinitroanilino)hydroxylamine has a molecular weight of 259.13 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trinitroanilino)hydroxylamine is sourced from PubChem (CID 174855795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).