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

C15H18N4O3 — CID 82420653

IUPAC1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
SMILESCCCCc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)cc1
InChIInChI=1S/C15H18N4O3/c1-2-3-4-10-5-7-11(8-6-10)19-13(21)9-12(20)14(18-19)15(22)17-16/h5-9,20H,2-4,16H2,1H3,(H,17,22)
InChIKeyDMMIMJJBQIUJGS-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.88
Rot. Bonds5

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

1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide (PubChem CID 82420653) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
PubChem CID82420653
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
SMILESCCCCc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)cc1
InChIInChI=1S/C15H18N4O3/c1-2-3-4-10-5-7-11(8-6-10)19-13(21)9-12(20)14(18-19)15(22)17-16/h5-9,20H,2-4,16H2,1H3,(H,17,22)
InChIKeyDMMIMJJBQIUJGS-UHFFFAOYSA-N
XLogP0.88
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
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
4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide
CID 82421317
1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
CID 82420645
1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82419192
1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791473
ethyl 4-[2-(4-butylanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate
CID 18579873
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
N-(3-butoxypropyl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784989
ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 54708408
1-(4-bromophenyl)-N-(3,5-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803882
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide
CID 108791427
1-(4-butylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 43652668

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide (CID 82420653) is 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide is CCCCc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
The InChIKey is DMMIMJJBQIUJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-3-4-10-5-7-11(8-6-10)19-13(21)9-12(20)14(18-19)15(22)17-16/h5-9,20H,2-4,16H2,1H3,(H,17,22).
What are the key properties of 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide has a molecular weight of 302.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 82420653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).