6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide

C13H14N4O2 — CID 82444310

IUPAC6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccc(OC)cc2)nn(C)c1=O
InChIInChI=1S/C13H14N4O2/c1-17-13(18)10(12(14)15)7-11(16-17)8-3-5-9(19-2)6-4-8/h3-7H,1-2H3,(H3,14,15)
InChIKeyGHZZIKNNMZQSQT-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.74
Rot. Bonds3

About 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide

6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide (PubChem CID 82444310) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
PubChem CID82444310
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccc(OC)cc2)nn(C)c1=O
InChIInChI=1S/C13H14N4O2/c1-17-13(18)10(12(14)15)7-11(16-17)8-3-5-9(19-2)6-4-8/h3-7H,1-2H3,(H3,14,15)
InChIKeyGHZZIKNNMZQSQT-UHFFFAOYSA-N
XLogP0.74
TPSA93.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444532
2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide
CID 82443990
methyl 3-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]propanoate
CID 19419543
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
CID 82444299
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444298
methyl 4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]-methylamino]cyclohexane-1-carboxylate
CID 19419458
2-[[2-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]acetyl]-methylamino]acetic acid
CID 19419720
3-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]propylphosphonic acid
CID 19419728
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
methyl 2-[benzoyl-[2-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]ethyl]amino]acetate
CID 19419811

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
The IUPAC name of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide (CID 82444310) is 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide is [H]/N=C(\N)c1cc(-c2ccc(OC)cc2)nn(C)c1=O.
What is the InChIKey of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
The InChIKey is GHZZIKNNMZQSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17-13(18)10(12(14)15)7-11(16-17)8-3-5-9(19-2)6-4-8/h3-7H,1-2H3,(H3,14,15).
What are the key properties of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide has a molecular weight of 258.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide is sourced from PubChem (CID 82444310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).