6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one

C15H27N3O — CID 175920204

IUPAC6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one
SMILESCc1cc(=O)n([C@@H](C)CC(C)C)nc1CCN(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)9-13(4)18-15(19)10-12(3)14(16-18)7-8-17(5)6/h10-11,13H,7-9H2,1-6H3/t13-/m0/s1
InChIKeyBBOYQUYVWLJTKS-ZDUSSCGKSA-N
MW265.40 g/mol
LogP2.26
Rot. Bonds6

About 6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one

6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one (PubChem CID 175920204) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one
PubChem CID175920204
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one
SMILESCc1cc(=O)n([C@@H](C)CC(C)C)nc1CCN(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)9-13(4)18-15(19)10-12(3)14(16-18)7-8-17(5)6/h10-11,13H,7-9H2,1-6H3/t13-/m0/s1
InChIKeyBBOYQUYVWLJTKS-ZDUSSCGKSA-N
XLogP2.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(dimethylamino)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 175588053
(2S)-2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 168984601
methyl (2S)-2-[3-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]-4-methylpentanoate
CID 168984621
2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide
CID 170026597
2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 175781285
2-(4-methylpentan-2-yl)-4-propan-2-ylpyridazin-3-one
CID 90726448
2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 159489843
methyl 2-[3-(2-hydroxyethyl)-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-methylpentanoate
CID 177063030
3-[2-(dimethylamino)ethyl]-1-methylpyrazole-5-carbaldehyde
CID 83817035
2-[3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579828
2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid
CID 77106170
2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine
CID 83916596

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one (CID 175920204) is 6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one is Cc1cc(=O)n([C@@H](C)CC(C)C)nc1CCN(C)C.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one?
The InChIKey is BBOYQUYVWLJTKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)9-13(4)18-15(19)10-12(3)14(16-18)7-8-17(5)6/h10-11,13H,7-9H2,1-6H3/t13-/m0/s1.
What are the key properties of 6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one?
6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one has a molecular weight of 265.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one is sourced from PubChem (CID 175920204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).