5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one

C10H15N3O2 — CID 114396087

IUPAC5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one
SMILESCC(=O)CCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H15N3O2/c1-8(14)4-5-13-10(15)6-9(7-11-13)12(2)3/h6-7H,4-5H2,1-3H3
InChIKeyJMISZUJZVBQRJV-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.29
Rot. Bonds4

About 5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one

5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one (PubChem CID 114396087) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one
PubChem CID114396087
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one
SMILESCC(=O)CCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H15N3O2/c1-8(14)4-5-13-10(15)6-9(7-11-13)12(2)3/h6-7H,4-5H2,1-3H3
InChIKeyJMISZUJZVBQRJV-UHFFFAOYSA-N
XLogP0.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 101073859
5-(Dimethylamino)-2-ethylpyridazin-3-one
CID 167137562
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
2-(3-Oxobutyl)pyridazin-3-one
CID 62849610
5-Amino-2-butylpyridazin-3-one
CID 103218271
3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide
CID 103218425
4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide
CID 103218428
5-Methyl-2-(3-oxobutyl)pyridazin-3-one
CID 106548804
2-(4-Oxohexyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 106801872
5-(Dimethylamino)-2-(4-oxohexyl)pyridazin-3-one
CID 106801873
2-(4-Oxohexyl)-5-piperidin-1-ylpyridazin-3-one
CID 106801875
5-(Diethylamino)-2-(4-oxohexyl)pyridazin-3-one
CID 106801878

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one (CID 114396087) is 5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one is CC(=O)CCn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one?
The InChIKey is JMISZUJZVBQRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8(14)4-5-13-10(15)6-9(7-11-13)12(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one?
5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one has a molecular weight of 209.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(3-oxobutyl)pyridazin-3-one is sourced from PubChem (CID 114396087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).