6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one

C17H21N3O2 — CID 82420089

IUPAC6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)c(-n2nc(CNC3CC3)c(O)cc2=O)c(C)c1
InChIInChI=1S/C17H21N3O2/c1-10-6-11(2)17(12(3)7-10)20-16(22)8-15(21)14(19-20)9-18-13-4-5-13/h6-8,13,18,21H,4-5,9H2,1-3H3
InChIKeyQQKJMNKULYKMGH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.12
Rot. Bonds4

About 6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one

6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one (PubChem CID 82420089) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
PubChem CID82420089
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)c(-n2nc(CNC3CC3)c(O)cc2=O)c(C)c1
InChIInChI=1S/C17H21N3O2/c1-10-6-11(2)17(12(3)7-10)20-16(22)8-15(21)14(19-20)9-18-13-4-5-13/h6-8,13,18,21H,4-5,9H2,1-3H3
InChIKeyQQKJMNKULYKMGH-UHFFFAOYSA-N
XLogP2.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(cyclopropylamino)methyl]-2-(2,6-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82420777
5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one
CID 82420083
6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
CID 82420094
6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one
CID 82421061
6-[(cyclopropylamino)methyl]-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one
CID 82421633
6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82421558
3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one
CID 82421276
N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447601
6-(butylaminomethyl)-2-(2,4-dimethylphenyl)-5-hydroxypyridazin-3-one
CID 82419180
2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82422260
3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one
CID 82421425
2-(2,4-dimethylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82419188

Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
The IUPAC name of 6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one (CID 82420089) is 6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one is Cc1cc(C)c(-n2nc(CNC3CC3)c(O)cc2=O)c(C)c1.
What is the InChIKey of 6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
The InChIKey is QQKJMNKULYKMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-6-11(2)17(12(3)7-10)20-16(22)8-15(21)14(19-20)9-18-13-4-5-13/h6-8,13,18,21H,4-5,9H2,1-3H3.
What are the key properties of 6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one has a molecular weight of 299.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 82420089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).