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

C16H20ClN3O — CID 82447368

IUPAC6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCNCc1cc(-c2ccc(Cl)cc2)nn(CC(C)C)c1=O
InChIInChI=1S/C16H20ClN3O/c1-11(2)10-20-16(21)13(9-18-3)8-15(19-20)12-4-6-14(17)7-5-12/h4-8,11,18H,9-10H2,1-3H3
InChIKeyGOFVJBKVGJAMQO-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.94
Rot. Bonds5

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

6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82447368) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82447368
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCNCc1cc(-c2ccc(Cl)cc2)nn(CC(C)C)c1=O
InChIInChI=1S/C16H20ClN3O/c1-11(2)10-20-16(21)13(9-18-3)8-15(19-20)12-4-6-14(17)7-5-12/h4-8,11,18H,9-10H2,1-3H3
InChIKeyGOFVJBKVGJAMQO-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82442860
6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 141064912
6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444050
6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
CID 82444930
2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82443800
4-[[bis(2-hydroxyethyl)amino]methyl]-6-(3,4-difluorophenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 10177855
2-methyl-4-(methylaminomethyl)-6-(4-propan-2-yloxyphenyl)pyridazin-3-one
CID 82444356
6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one
CID 82446687
2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride
CID 82447273
[4-[5-[(dimethylamino)methyl]-1-(2-methylpropyl)-6-oxopyridazin-3-yl]phenyl]methanesulfinate
CID 174449639
4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447397
4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467609

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one (CID 82447368) is 6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one is CNCc1cc(-c2ccc(Cl)cc2)nn(CC(C)C)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is GOFVJBKVGJAMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11(2)10-20-16(21)13(9-18-3)8-15(19-20)12-4-6-14(17)7-5-12/h4-8,11,18H,9-10H2,1-3H3.
What are the key properties of 6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 305.81 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82447368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).