6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one

C14H17N3O2 — CID 105062130

IUPAC6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(CCNc2ccccc2C)n1
InChIInChI=1S/C14H17N3O2/c1-11-5-3-4-6-12(11)15-9-10-17-14(18)8-7-13(16-17)19-2/h3-8,15H,9-10H2,1-2H3
InChIKeyLIZJXNSEUNCXFP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.67
Rot. Bonds5

About 6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one

6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one (PubChem CID 105062130) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one
PubChem CID105062130
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(CCNc2ccccc2C)n1
InChIInChI=1S/C14H17N3O2/c1-11-5-3-4-6-12(11)15-9-10-17-14(18)8-7-13(16-17)19-2/h3-8,15H,9-10H2,1-2H3
InChIKeyLIZJXNSEUNCXFP-UHFFFAOYSA-N
XLogP1.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-ethoxyethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105062166
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one
CID 105062199
2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105062157
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
2-[2-(2-methylanilino)ethyl]phthalazin-1-one
CID 62562795
2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one
CID 59843110
methyl 3-(2-methylanilino)propanoate
CID 12805940
3-methyl-1-[2-(2-methylanilino)ethyl]pyridin-2-one
CID 63172575
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one
CID 80582374

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one (CID 105062130) is 6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one is COc1ccc(=O)n(CCNc2ccccc2C)n1.
What is the InChIKey of 6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one?
The InChIKey is LIZJXNSEUNCXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-5-3-4-6-12(11)15-9-10-17-14(18)8-7-13(16-17)19-2/h3-8,15H,9-10H2,1-2H3.
What are the key properties of 6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one?
6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one has a molecular weight of 259.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one is sourced from PubChem (CID 105062130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).