6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one

C14H17N3O2 — CID 82421725

IUPAC6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one
SMILESCCNCc1nn(-c2cccc(C)c2)c(=O)cc1O
InChIInChI=1S/C14H17N3O2/c1-3-15-9-12-13(18)8-14(19)17(16-12)11-6-4-5-10(2)7-11/h4-8,15,18H,3,9H2,1-2H3
InChIKeyKWLVXDLTSDIMRK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.36
Rot. Bonds4

About 6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one

6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one (PubChem CID 82421725) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one
PubChem CID82421725
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one
SMILESCCNCc1nn(-c2cccc(C)c2)c(=O)cc1O
InChIInChI=1S/C14H17N3O2/c1-3-15-9-12-13(18)8-14(19)17(16-12)11-6-4-5-10(2)7-11/h4-8,15,18H,3,9H2,1-2H3
InChIKeyKWLVXDLTSDIMRK-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde
CID 82421723
2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82421915
2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82422260
6-(butylaminomethyl)-2-(2,4-dimethylphenyl)-5-hydroxypyridazin-3-one
CID 82419180
2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420300
N-[[3-(3-methylphenyl)triazol-4-yl]methyl]ethanamine
CID 107451191
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784993
N-(3-butoxypropyl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784989
2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
CID 108785094
2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420696
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]pentanedioic acid
CID 108785089

Frequently Asked Questions

What is the IUPAC name of 6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one (CID 82421725) is 6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one is CCNCc1nn(-c2cccc(C)c2)c(=O)cc1O.
What is the InChIKey of 6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one?
The InChIKey is KWLVXDLTSDIMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-15-9-12-13(18)8-14(19)17(16-12)11-6-4-5-10(2)7-11/h4-8,15,18H,3,9H2,1-2H3.
What are the key properties of 6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one?
6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one has a molecular weight of 259.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 82421725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).