2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide

C13H13N5O4 — CID 82445305

IUPAC2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide
SMILESCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)NN)c1=O
InChIInChI=1S/C13H13N5O4/c1-2-17-13(20)10(12(19)15-14)7-11(16-17)8-3-5-9(6-4-8)18(21)22/h3-7H,2,14H2,1H3,(H,15,19)
InChIKeyJKOOJDSOAIGETM-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.44
Rot. Bonds4

About 2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide

2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide (PubChem CID 82445305) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide.

Molecular Properties

Compound Name2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide
PubChem CID82445305
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC Name2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide
SMILESCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)NN)c1=O
InChIInChI=1S/C13H13N5O4/c1-2-17-13(20)10(12(19)15-14)7-11(16-17)8-3-5-9(6-4-8)18(21)22/h3-7H,2,14H2,1H3,(H,15,19)
InChIKeyJKOOJDSOAIGETM-UHFFFAOYSA-N
XLogP0.44
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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

2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide
CID 70545373
4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82446951
2-ethyl-6-(3-nitrophenyl)-3-oxopyridazine-4-carbonyl chloride
CID 82445285
ethyl 2-(2-amino-2-oxoethyl)-6-(4-nitrophenyl)-3-oxopyridazine-4-carboxylate
CID 100785584
5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole
CID 12061634
1-ethyl-3-(4-nitrophenyl)pyrazole-5-carbaldehyde
CID 84761305
4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82467572
2-ethyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbothioamide
CID 82444750
4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
CID 82444786
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
methyl (2S)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]butanoate
CID 7665293
2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid
CID 82444793

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide?
The IUPAC name of 2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide (CID 82445305) is 2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide.
What is the SMILES notation for 2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide?
The canonical SMILES for 2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide is CCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)NN)c1=O.
What is the InChIKey of 2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide?
The InChIKey is JKOOJDSOAIGETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4/c1-2-17-13(20)10(12(19)15-14)7-11(16-17)8-3-5-9(6-4-8)18(21)22/h3-7H,2,14H2,1H3,(H,15,19).
What are the key properties of 2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide?
2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide has a molecular weight of 303.28 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide is sourced from PubChem (CID 82445305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).