1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide

C14H16N4O3 — CID 82420049

IUPAC1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCCOc1ccc(-n2nc(C(=O)NN)c(=O)cc2C)cc1
InChIInChI=1S/C14H16N4O3/c1-3-21-11-6-4-10(5-7-11)18-9(2)8-12(19)13(17-18)14(20)16-15/h4-8H,3,15H2,1-2H3,(H,16,20)
InChIKeyJXCAJYZSZPUJNP-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.54
Rot. Bonds4

About 1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide

1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide (PubChem CID 82420049) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
PubChem CID82420049
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCCOc1ccc(-n2nc(C(=O)NN)c(=O)cc2C)cc1
InChIInChI=1S/C14H16N4O3/c1-3-21-11-6-4-10(5-7-11)18-9(2)8-12(19)13(17-18)14(20)16-15/h4-8H,3,15H2,1-2H3,(H,16,20)
InChIKeyJXCAJYZSZPUJNP-UHFFFAOYSA-N
XLogP0.54
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82420002
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 27676187
3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82420041
1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one
CID 82420042
1-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 27674757
6-methyl-4-oxo-1-(2,4,6-trimethylphenyl)pyridazine-3-carbohydrazide
CID 82420147
6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 167743128
N-(4-ethoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 7678289
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 25441787
1-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8530886
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369
4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide
CID 82421317

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The IUPAC name of 1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide (CID 82420049) is 1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide is CCOc1ccc(-n2nc(C(=O)NN)c(=O)cc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The InChIKey is JXCAJYZSZPUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-21-11-6-4-10(5-7-11)18-9(2)8-12(19)13(17-18)14(20)16-15/h4-8H,3,15H2,1-2H3,(H,16,20).
What are the key properties of 1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide has a molecular weight of 288.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 82420049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).