2-hydrazinyl-5-nitroaniline

C6H8N4O2 — CID 130769325

IUPAC2-hydrazinyl-5-nitroaniline
SMILESNNc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C6H8N4O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3,9H,7-8H2
InChIKeyWXVNTXDSWQHJBO-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.46
Rot. Bonds2

About 2-hydrazinyl-5-nitroaniline

2-hydrazinyl-5-nitroaniline (PubChem CID 130769325) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-hydrazinyl-5-nitroaniline.

Molecular Properties

Compound Name2-hydrazinyl-5-nitroaniline
PubChem CID130769325
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name2-hydrazinyl-5-nitroaniline
SMILESNNc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C6H8N4O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3,9H,7-8H2
InChIKeyWXVNTXDSWQHJBO-UHFFFAOYSA-N
XLogP0.46
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
1-N-cyclopropyl-4-nitrobenzene-1,2-diamine
CID 46941382
(4-nitro-2-nitrosophenyl)hydrazine
CID 147552022
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
1-N-(3,5-dichlorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079880
1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079927
1-N-butyl-4-nitrobenzene-1,2-diamine
CID 15327518
4-nitro-1-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 62809315
(2,4-dinitrophenyl)hydrazine;propan-2-one
CID 162068337
1-N-(2,5-dibromophenyl)-4-nitrobenzene-1,2-diamine
CID 62507466
1-N-(4-methoxyphenyl)-4-nitrobenzene-1,2-diamine
CID 12643556
2-(2-amino-4-nitroanilino)benzonitrile
CID 62506951

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-nitroaniline?
The IUPAC name of 2-hydrazinyl-5-nitroaniline (CID 130769325) is 2-hydrazinyl-5-nitroaniline.
What is the SMILES notation for 2-hydrazinyl-5-nitroaniline?
The canonical SMILES for 2-hydrazinyl-5-nitroaniline is NNc1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 2-hydrazinyl-5-nitroaniline?
The InChIKey is WXVNTXDSWQHJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3,9H,7-8H2.
What are the key properties of 2-hydrazinyl-5-nitroaniline?
2-hydrazinyl-5-nitroaniline has a molecular weight of 168.16 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-nitroaniline is sourced from PubChem (CID 130769325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).