(1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine

C6H8N4O4 — CID 87923593

IUPAC(1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine
SMILESNNC1([N+](=O)[O-])C=CC([N+](=O)[O-])=CC1
InChIInChI=1S/C6H8N4O4/c7-8-6(10(13)14)3-1-5(2-4-6)9(11)12/h1-3,8H,4,7H2
InChIKeyGUVZPUBQXXBTBE-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.46
Rot. Bonds3

About (1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine

(1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine (PubChem CID 87923593) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is (1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine.

Molecular Properties

Compound Name(1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine
PubChem CID87923593
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name(1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine
SMILESNNC1([N+](=O)[O-])C=CC([N+](=O)[O-])=CC1
InChIInChI=1S/C6H8N4O4/c7-8-6(10(13)14)3-1-5(2-4-6)9(11)12/h1-3,8H,4,7H2
InChIKeyGUVZPUBQXXBTBE-UHFFFAOYSA-N
XLogP-0.46
TPSA124.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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'}

Analyze (1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine?
The IUPAC name of (1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine (CID 87923593) is (1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine.
What is the SMILES notation for (1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine?
The canonical SMILES for (1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine is NNC1([N+](=O)[O-])C=CC([N+](=O)[O-])=CC1.
What is the InChIKey of (1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine?
The InChIKey is GUVZPUBQXXBTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4/c7-8-6(10(13)14)3-1-5(2-4-6)9(11)12/h1-3,8H,4,7H2.
What are the key properties of (1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine?
(1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine has a molecular weight of 200.15 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dinitrocyclohexa-2,4-dien-1-yl)hydrazine is sourced from PubChem (CID 87923593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).