3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid

C8H10N2O4 — CID 82778272

IUPAC3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid
SMILESO=C(O)CC(O)Cn1ncccc1=O
InChIInChI=1S/C8H10N2O4/c11-6(4-8(13)14)5-10-7(12)2-1-3-9-10/h1-3,6,11H,4-5H2,(H,13,14)
InChIKeyPFXGVITYCIPCFA-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.92
Rot. Bonds4

About 3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid

3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid (PubChem CID 82778272) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid
PubChem CID82778272
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid
SMILESO=C(O)CC(O)Cn1ncccc1=O
InChIInChI=1S/C8H10N2O4/c11-6(4-8(13)14)5-10-7(12)2-1-3-9-10/h1-3,6,11H,4-5H2,(H,13,14)
InChIKeyPFXGVITYCIPCFA-UHFFFAOYSA-N
XLogP-0.92
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid (CID 82778272) is 3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid is O=C(O)CC(O)Cn1ncccc1=O.
What is the InChIKey of 3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is PFXGVITYCIPCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-6(4-8(13)14)5-10-7(12)2-1-3-9-10/h1-3,6,11H,4-5H2,(H,13,14).
What are the key properties of 3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid?
3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 82778272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).