4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline

C12H10N6O4 — CID 165358995

IUPAC4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline
SMILESNc1ccc(/N=N/c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N6O4/c13-9-3-1-7(5-11(9)17(19)20)15-16-8-2-4-10(14)12(6-8)18(21)22/h1-6H,13-14H2/b16-15+
InChIKeyLPCZTNHRCAJMJM-FOCLMDBBSA-N
MW302.25 g/mol
LogP3.08
Rot. Bonds4

About 4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline

4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline (PubChem CID 165358995) has the molecular formula C12H10N6O4 and a molecular weight of 302.25 g/mol. Its IUPAC name is 4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline.

Molecular Properties

Compound Name4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline
PubChem CID165358995
Molecular FormulaC12H10N6O4
Molecular Weight302.25 g/mol
Exact Mass302.08
IUPAC Name4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline
SMILESNc1ccc(/N=N/c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N6O4/c13-9-3-1-7(5-11(9)17(19)20)15-16-8-2-4-10(14)12(6-8)18(21)22/h1-6H,13-14H2/b16-15+
InChIKeyLPCZTNHRCAJMJM-FOCLMDBBSA-N
XLogP3.08
TPSA163.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

4-(4-amino-3-nitrophenyl)-2-nitroaniline
CID 3106720
4-amino-3-nitrobenzenethiol
CID 11423822
4-chloro-2-nitroaniline
CID 6979
4-amino-3-nitrobenzonitrile
CID 595901
pentakis(4-amino-3-nitrobenzenethiol);pentahydrofluoride
CID 173288594
4-[(E)-[(E)-(4-amino-3-nitrophenyl)methylidenehydrazinylidene]methyl]-2-nitroaniline
CID 139175508
4-amino-3-nitrophenol;3,4-dihydroxycyclobut-3-ene-1,2-dione
CID 154809804
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
bis(4-amino-3-nitrophenyl)methanone;dihydrochloride
CID 143823291
(4-amino-3-nitrophenyl)methanethiol
CID 21319287
2,4-dinitroaniline;sulfuric acid
CID 174852217
4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline
CID 155141679

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline?
The IUPAC name of 4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline (CID 165358995) is 4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline.
What is the SMILES notation for 4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline?
The canonical SMILES for 4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline is Nc1ccc(/N=N/c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline?
The InChIKey is LPCZTNHRCAJMJM-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H10N6O4/c13-9-3-1-7(5-11(9)17(19)20)15-16-8-2-4-10(14)12(6-8)18(21)22/h1-6H,13-14H2/b16-15+.
What are the key properties of 4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline?
4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline has a molecular weight of 302.25 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline is sourced from PubChem (CID 165358995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).