3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide

C13H14N4O4 — CID 82446236

IUPAC3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)c(=O)[nH]n2)c(OC)c1
InChIInChI=1S/C13H14N4O4/c1-20-7-3-4-8(11(5-7)21-2)10-6-9(12(18)15-14)13(19)17-16-10/h3-6H,14H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyIJHVCBYVLNRJFR-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.06
Rot. Bonds4

About 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide

3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide (PubChem CID 82446236) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide
PubChem CID82446236
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)c(=O)[nH]n2)c(OC)c1
InChIInChI=1S/C13H14N4O4/c1-20-7-3-4-8(11(5-7)21-2)10-6-9(12(18)15-14)13(19)17-16-10/h3-6H,14H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyIJHVCBYVLNRJFR-UHFFFAOYSA-N
XLogP0.06
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.06
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

3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 82446214
N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920320
3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920353
3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920339
3-(2,4-dimethoxyphenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920338
N-(4-bromo-2-methylphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920344
3-(2,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 46920331
2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide
CID 54853938
4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852116
4-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 56984225

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide (CID 82446236) is 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NN)c(=O)[nH]n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide?
The InChIKey is IJHVCBYVLNRJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-20-7-3-4-8(11(5-7)21-2)10-6-9(12(18)15-14)13(19)17-16-10/h3-6H,14H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide?
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide has a molecular weight of 290.28 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide is sourced from PubChem (CID 82446236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).