6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one

C16H19N3O2 — CID 82421061

IUPAC6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one
SMILESCCc1ccc(-n2nc(CNC3CC3)c(O)cc2=O)cc1
InChIInChI=1S/C16H19N3O2/c1-2-11-3-7-13(8-4-11)19-16(21)9-15(20)14(18-19)10-17-12-5-6-12/h3-4,7-9,12,17,20H,2,5-6,10H2,1H3
InChIKeyJUUIOKZBTKHKKO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.75
Rot. Bonds5

About 6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one

6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one (PubChem CID 82421061) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one
PubChem CID82421061
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one
SMILESCCc1ccc(-n2nc(CNC3CC3)c(O)cc2=O)cc1
InChIInChI=1S/C16H19N3O2/c1-2-11-3-7-13(8-4-11)19-16(21)9-15(20)14(18-19)10-17-12-5-6-12/h3-4,7-9,12,17,20H,2,5-6,10H2,1H3
InChIKeyJUUIOKZBTKHKKO-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
CID 82420089
6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82421558
6-[(cyclopropylamino)methyl]-2-(2,6-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82420777
6-[(cyclopropylamino)methyl]-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one
CID 82421633
N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109524
3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one
CID 82421425
2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82421915
N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine
CID 107431113
3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one
CID 82421276
2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82422260
1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82420653
2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420300

Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one?
The IUPAC name of 6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one (CID 82421061) is 6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one.
What is the SMILES notation for 6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one?
The canonical SMILES for 6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one is CCc1ccc(-n2nc(CNC3CC3)c(O)cc2=O)cc1.
What is the InChIKey of 6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one?
The InChIKey is JUUIOKZBTKHKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-11-3-7-13(8-4-11)19-16(21)9-15(20)14(18-19)10-17-12-5-6-12/h3-4,7-9,12,17,20H,2,5-6,10H2,1H3.
What are the key properties of 6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one?
6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one has a molecular weight of 285.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one is sourced from PubChem (CID 82421061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).