4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid

C10H15N3O4 — CID 114393863

IUPAC4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid
SMILESCN(C)c1cnn(CC(O)CC(=O)O)c(=O)c1
InChIInChI=1S/C10H15N3O4/c1-12(2)7-3-9(15)13(11-5-7)6-8(14)4-10(16)17/h3,5,8,14H,4,6H2,1-2H3,(H,16,17)
InChIKeyUEPPDLIIADVEDF-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.86
Rot. Bonds5

About 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid

4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid (PubChem CID 114393863) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid
PubChem CID114393863
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid
SMILESCN(C)c1cnn(CC(O)CC(=O)O)c(=O)c1
InChIInChI=1S/C10H15N3O4/c1-12(2)7-3-9(15)13(11-5-7)6-8(14)4-10(16)17/h3,5,8,14H,4,6H2,1-2H3,(H,16,17)
InChIKeyUEPPDLIIADVEDF-UHFFFAOYSA-N
XLogP-0.86
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid?
The IUPAC name of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid (CID 114393863) is 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid is CN(C)c1cnn(CC(O)CC(=O)O)c(=O)c1.
What is the InChIKey of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid?
The InChIKey is UEPPDLIIADVEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-12(2)7-3-9(15)13(11-5-7)6-8(14)4-10(16)17/h3,5,8,14H,4,6H2,1-2H3,(H,16,17).
What are the key properties of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid?
4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid is sourced from PubChem (CID 114393863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).