2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one

C13H23N3O — CID 82443125

IUPAC2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
SMILESCC(C)CNCc1cc(C(C)C)nn(C)c1=O
InChIInChI=1S/C13H23N3O/c1-9(2)7-14-8-11-6-12(10(3)4)15-16(5)13(11)17/h6,9-10,14H,7-8H2,1-5H3
InChIKeyDNJRTAHRCIOVJX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.65
Rot. Bonds5

About 2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one

2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one (PubChem CID 82443125) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
PubChem CID82443125
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
SMILESCC(C)CNCc1cc(C(C)C)nn(C)c1=O
InChIInChI=1S/C13H23N3O/c1-9(2)7-14-8-11-6-12(10(3)4)15-16(5)13(11)17/h6,9-10,14H,7-8H2,1-5H3
InChIKeyDNJRTAHRCIOVJX-UHFFFAOYSA-N
XLogP1.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one
CID 82443259
2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443306
4-[(butan-2-ylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443126
4-(bromomethyl)-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443132
4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443123
6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444050
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
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-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one
CID 82443197
6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82443565

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one (CID 82443125) is 2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one is CC(C)CNCc1cc(C(C)C)nn(C)c1=O.
What is the InChIKey of 2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one?
The InChIKey is DNJRTAHRCIOVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)7-14-8-11-6-12(10(3)4)15-16(5)13(11)17/h6,9-10,14H,7-8H2,1-5H3.
What are the key properties of 2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one?
2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one has a molecular weight of 237.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 82443125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).