N-(3-amino-2,4-dinitrophenyl)hydroxylamine

C6H6N4O5 — CID 4122102

IUPACN-(3-amino-2,4-dinitrophenyl)hydroxylamine
SMILESNc1c([N+](=O)[O-])ccc(NO)c1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O5/c7-5-4(9(12)13)2-1-3(8-11)6(5)10(14)15/h1-2,8,11H,7H2
InChIKeySALJCBHHPYXCHX-UHFFFAOYSA-N
MW214.14 g/mol
LogP0.89
Rot. Bonds3

About N-(3-amino-2,4-dinitrophenyl)hydroxylamine

N-(3-amino-2,4-dinitrophenyl)hydroxylamine (PubChem CID 4122102) has the molecular formula C6H6N4O5 and a molecular weight of 214.14 g/mol. Its IUPAC name is N-(3-amino-2,4-dinitrophenyl)hydroxylamine.

Molecular Properties

Compound NameN-(3-amino-2,4-dinitrophenyl)hydroxylamine
PubChem CID4122102
Molecular FormulaC6H6N4O5
Molecular Weight214.14 g/mol
Exact Mass214.03
IUPAC NameN-(3-amino-2,4-dinitrophenyl)hydroxylamine
SMILESNc1c([N+](=O)[O-])ccc(NO)c1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O5/c7-5-4(9(12)13)2-1-3(8-11)6(5)10(14)15/h1-2,8,11H,7H2
InChIKeySALJCBHHPYXCHX-UHFFFAOYSA-N
XLogP0.89
TPSA144.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-amino-2,4-dinitrophenyl)hydroxylamine 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

3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
3-nitro-6-(2,3,4,5,6-pentanitrophenyl)benzene-1,2-diamine
CID 57376603
N-(3-amino-2,4-dinitrophenyl)-N-[2-(3-amino-N,2,4-trinitroanilino)ethyl]nitramide
CID 160763059
2-(3-amino-4-nitro-2-nitrosoanilino)acetamide
CID 145266315
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
3-[(E)-2-[4-[(E)-2-(3-amino-2,4,6-trinitrophenyl)ethenyl]phenyl]ethenyl]-2,4,6-trinitroaniline
CID 90467879
1-(2,6-diamino-3-nitrophenyl)ethanone
CID 163623643
2,3,5,6-tetranitrobenzene-1,4-diamine
CID 14921108
N,N'-bis(2,3,4-trinitrophenyl)pentane-1,5-diamine
CID 23496475
3-amino-2-chloro-4-nitrobenzoic acid
CID 10488942
3-amino-2-hydroxy-4-nitrobenzenesulfonic acid
CID 54315805
N-(3-nitro-2-nitrosophenyl)hydroxylamine
CID 91620917

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-dinitrophenyl)hydroxylamine?
The IUPAC name of N-(3-amino-2,4-dinitrophenyl)hydroxylamine (CID 4122102) is N-(3-amino-2,4-dinitrophenyl)hydroxylamine.
What is the SMILES notation for N-(3-amino-2,4-dinitrophenyl)hydroxylamine?
The canonical SMILES for N-(3-amino-2,4-dinitrophenyl)hydroxylamine is Nc1c([N+](=O)[O-])ccc(NO)c1[N+](=O)[O-].
What is the InChIKey of N-(3-amino-2,4-dinitrophenyl)hydroxylamine?
The InChIKey is SALJCBHHPYXCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O5/c7-5-4(9(12)13)2-1-3(8-11)6(5)10(14)15/h1-2,8,11H,7H2.
What are the key properties of N-(3-amino-2,4-dinitrophenyl)hydroxylamine?
N-(3-amino-2,4-dinitrophenyl)hydroxylamine has a molecular weight of 214.14 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-dinitrophenyl)hydroxylamine is sourced from PubChem (CID 4122102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).