6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one

C16H20ClN3O — CID 82444050

IUPAC6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
SMILESCC(C)CNCc1cc(-c2ccc(Cl)cc2)nn(C)c1=O
InChIInChI=1S/C16H20ClN3O/c1-11(2)9-18-10-13-8-15(19-20(3)16(13)21)12-4-6-14(17)7-5-12/h4-8,11,18H,9-10H2,1-3H3
InChIKeyOEWJOVLOLQAVEV-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.85
Rot. Bonds5

About 6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one

6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one (PubChem CID 82444050) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
PubChem CID82444050
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
SMILESCC(C)CNCc1cc(-c2ccc(Cl)cc2)nn(C)c1=O
InChIInChI=1S/C16H20ClN3O/c1-11(2)9-18-10-13-8-15(19-20(3)16(13)21)12-4-6-14(17)7-5-12/h4-8,11,18H,9-10H2,1-3H3
InChIKeyOEWJOVLOLQAVEV-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444306
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
CID 82446587
2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443125
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one
CID 82443838
2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82443803
6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447368
2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82443800
6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82444010
2-methyl-4-(methylaminomethyl)-6-(4-propan-2-yloxyphenyl)pyridazin-3-one
CID 82444356
4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444307
4-(butylaminomethyl)-6-(3,4-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443929

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one (CID 82444050) is 6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one is CC(C)CNCc1cc(-c2ccc(Cl)cc2)nn(C)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
The InChIKey is OEWJOVLOLQAVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11(2)9-18-10-13-8-15(19-20(3)16(13)21)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)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one has a molecular weight of 305.81 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one is sourced from PubChem (CID 82444050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).