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

C13H14N4O4 — CID 82420002

IUPAC1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
SMILESCCOc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)cc1
InChIInChI=1S/C13H14N4O4/c1-2-21-9-5-3-8(4-6-9)17-11(19)7-10(18)12(16-17)13(20)15-14/h3-7,18H,2,14H2,1H3,(H,15,20)
InChIKeyVEUKWXBGBNTRIH-UHFFFAOYSA-N
MW290.28 g/mol
LogP-0.06
Rot. Bonds4

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

1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide (PubChem CID 82420002) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
PubChem CID82420002
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
SMILESCCOc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)cc1
InChIInChI=1S/C13H14N4O4/c1-2-21-9-5-3-8(4-6-9)17-11(19)7-10(18)12(16-17)13(20)15-14/h3-7,18H,2,14H2,1H3,(H,15,20)
InChIKeyVEUKWXBGBNTRIH-UHFFFAOYSA-N
XLogP-0.06
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide
CID 82421317
1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 82420049
1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82420653
ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 54708408
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
ethyl 4-[[1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carbonyl]amino]benzoate
CID 108791374
1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82419192
ethyl 4-(4-ethoxyphenyl)sulfonyloxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 43993012
4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785145
ethyl 4-(4-ethoxyphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 18579654
ethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]-6-oxo-1-phenylpyridazine-3-carboxylate
CID 16839313
1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791473

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of 1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide (CID 82420002) is 1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide is CCOc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
The InChIKey is VEUKWXBGBNTRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-2-21-9-5-3-8(4-6-9)17-11(19)7-10(18)12(16-17)13(20)15-14/h3-7,18H,2,14H2,1H3,(H,15,20).
What are the key properties of 1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide has a molecular weight of 290.28 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 82420002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).