4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid

C8H10N2O5 — CID 82775280

IUPAC4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H10N2O5/c11-5(3-8(14)15)4-10-7(13)2-1-6(12)9-10/h1-2,5,11H,3-4H2,(H,9,12)(H,14,15)
InChIKeyKJIJGSUOBVXBHB-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.63
Rot. Bonds4

About 4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid

4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid (PubChem CID 82775280) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid
PubChem CID82775280
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H10N2O5/c11-5(3-8(14)15)4-10-7(13)2-1-6(12)9-10/h1-2,5,11H,3-4H2,(H,9,12)(H,14,15)
InChIKeyKJIJGSUOBVXBHB-UHFFFAOYSA-N
XLogP-1.63
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,6-dioxo-1H-pyridazin-2-yl)butanoic acid
CID 20119325
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 43353579
2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid
CID 66433022
ethyl 4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoate
CID 82775496
4-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid
CID 82777780
ethyl 4-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoate
CID 82778052
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid
CID 103153152
(2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 104964899

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid?
The IUPAC name of 4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid (CID 82775280) is 4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid is O=C(O)CC(O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid?
The InChIKey is KJIJGSUOBVXBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c11-5(3-8(14)15)4-10-7(13)2-1-6(12)9-10/h1-2,5,11H,3-4H2,(H,9,12)(H,14,15).
What are the key properties of 4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid?
4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid has a molecular weight of 214.18 g/mol, XLogP of -1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxybutanoic acid is sourced from PubChem (CID 82775280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).