1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide

C13H14N4O3 — CID 82419192

IUPAC1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
SMILESCc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)c(C)c1
InChIInChI=1S/C13H14N4O3/c1-7-3-4-9(8(2)5-7)17-11(19)6-10(18)12(16-17)13(20)15-14/h3-6,18H,14H2,1-2H3,(H,15,20)
InChIKeyJOMJZHXBFYSNEI-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.16
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide

1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide (PubChem CID 82419192) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
PubChem CID82419192
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
SMILESCc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)c(C)c1
InChIInChI=1S/C13H14N4O3/c1-7-3-4-9(8(2)5-7)17-11(19)6-10(18)12(16-17)13(20)15-14/h3-6,18H,14H2,1-2H3,(H,15,20)
InChIKeyJOMJZHXBFYSNEI-UHFFFAOYSA-N
XLogP0.16
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.16
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

2-(2,4-dimethylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82419188
4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide
CID 82421317
1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82420002
6-(butylaminomethyl)-2-(2,4-dimethylphenyl)-5-hydroxypyridazin-3-one
CID 82419180
1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82420653
6-methyl-4-oxo-1-(2,4,6-trimethylphenyl)pyridazine-3-carbohydrazide
CID 82420147
2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
CID 108785094
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784993
2-(2,5-dimethylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420377
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]pentanedioic acid
CID 108785089
N-(3-butoxypropyl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784989

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide (CID 82419192) is 1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide is Cc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
The InChIKey is JOMJZHXBFYSNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-7-3-4-9(8(2)5-7)17-11(19)6-10(18)12(16-17)13(20)15-14/h3-6,18H,14H2,1-2H3,(H,15,20).
What are the key properties of 1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide?
1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide has a molecular weight of 274.28 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 82419192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).