6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one

C11H19N3O — CID 82442860

IUPAC6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCNCc1cc(C)nn(CC(C)C)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)7-14-11(15)10(6-12-4)5-9(3)13-14/h5,8,12H,6-7H2,1-4H3
InChIKeyUHLMNAKLYJOIJY-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.93
Rot. Bonds4

About 6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one

6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82442860) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82442860
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCNCc1cc(C)nn(CC(C)C)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)7-14-11(15)10(6-12-4)5-9(3)13-14/h5,8,12H,6-7H2,1-4H3
InChIKeyUHLMNAKLYJOIJY-UHFFFAOYSA-N
XLogP0.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82442863
6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447368
4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443346
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
4-(bromomethyl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443355
4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one
CID 82442880
5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole
CID 165138413
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one
CID 82442898
1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440093
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82443653
2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
CID 82442924

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one (CID 82442860) is 6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one is CNCc1cc(C)nn(CC(C)C)c1=O.
What is the InChIKey of 6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is UHLMNAKLYJOIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)7-14-11(15)10(6-12-4)5-9(3)13-14/h5,8,12H,6-7H2,1-4H3.
What are the key properties of 6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82442860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).