6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide

C14H16N4O2 — CID 82444532

IUPAC6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cc(C)ccc2OC)nn(C)c1=O
InChIInChI=1S/C14H16N4O2/c1-8-4-5-12(20-3)9(6-8)11-7-10(13(15)16)14(19)18(2)17-11/h4-7H,1-3H3,(H3,15,16)
InChIKeyYCOCHGUQJPKJBU-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.05
Rot. Bonds3

About 6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide

6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide (PubChem CID 82444532) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide.

Molecular Properties

Compound Name6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
PubChem CID82444532
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cc(C)ccc2OC)nn(C)c1=O
InChIInChI=1S/C14H16N4O2/c1-8-4-5-12(20-3)9(6-8)11-7-10(13(15)16)14(19)18(2)17-11/h4-7H,1-3H3,(H3,15,16)
InChIKeyYCOCHGUQJPKJBU-UHFFFAOYSA-N
XLogP1.05
TPSA93.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.05
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'}

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Related Compounds

6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carbothioamide
CID 82444531
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444310
2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide
CID 82447618
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide
CID 82443990
1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82420628
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 114904752
6-(2-methoxy-5-methylphenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde
CID 82446916
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
The IUPAC name of 6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide (CID 82444532) is 6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide.
What is the SMILES notation for 6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
The canonical SMILES for 6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide is [H]/N=C(\N)c1cc(-c2cc(C)ccc2OC)nn(C)c1=O.
What is the InChIKey of 6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
The InChIKey is YCOCHGUQJPKJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-4-5-12(20-3)9(6-8)11-7-10(13(15)16)14(19)18(2)17-11/h4-7H,1-3H3,(H3,15,16).
What are the key properties of 6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide has a molecular weight of 272.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide is sourced from PubChem (CID 82444532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).