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

C15H18N4O3 — CID 82447618

IUPAC2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2OC)nn(CCOC)c1=O
InChIInChI=1S/C15H18N4O3/c1-21-8-7-19-15(20)11(14(16)17)9-12(18-19)10-5-3-4-6-13(10)22-2/h3-6,9H,7-8H2,1-2H3,(H3,16,17)
InChIKeyOQFBFYMCQRYWIT-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.85
Rot. Bonds6

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

2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide (PubChem CID 82447618) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide
PubChem CID82447618
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2OC)nn(CCOC)c1=O
InChIInChI=1S/C15H18N4O3/c1-21-8-7-19-15(20)11(14(16)17)9-12(18-19)10-5-3-4-6-13(10)22-2/h3-6,9H,7-8H2,1-2H3,(H3,16,17)
InChIKeyOQFBFYMCQRYWIT-UHFFFAOYSA-N
XLogP0.85
TPSA103.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one
CID 82447614
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444532
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518948
1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
6-(2-methoxyphenyl)pyridine-2-carboximidamide
CID 14281216
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444310
4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
CID 82447655

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide?
The IUPAC name of 2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide (CID 82447618) is 2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide.
What is the SMILES notation for 2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide?
The canonical SMILES for 2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide is [H]/N=C(\N)c1cc(-c2ccccc2OC)nn(CCOC)c1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide?
The InChIKey is OQFBFYMCQRYWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-21-8-7-19-15(20)11(14(16)17)9-12(18-19)10-5-3-4-6-13(10)22-2/h3-6,9H,7-8H2,1-2H3,(H3,16,17).
What are the key properties of 2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide?
2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide has a molecular weight of 302.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide is sourced from PubChem (CID 82447618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).