3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one

C8H12N2O4 — CID 171871760

IUPAC3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one
SMILESO=c1ccc(C(O)C(O)CCO)n[nH]1
InChIInChI=1S/C8H12N2O4/c11-4-3-6(12)8(14)5-1-2-7(13)10-9-5/h1-2,6,8,11-12,14H,3-4H2,(H,10,13)
InChIKeyFEMAWNJJFOXNQS-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.45
Rot. Bonds4

About 3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one

3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one (PubChem CID 171871760) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one
PubChem CID171871760
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one
SMILESO=c1ccc(C(O)C(O)CCO)n[nH]1
InChIInChI=1S/C8H12N2O4/c11-4-3-6(12)8(14)5-1-2-7(13)10-9-5/h1-2,6,8,11-12,14H,3-4H2,(H,10,13)
InChIKeyFEMAWNJJFOXNQS-UHFFFAOYSA-N
XLogP-1.45
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde
CID 171872080
1-(6-aminopyridazin-3-yl)butane-1,2,4-triol
CID 171871817
ethane;3-propan-2-yl-1H-pyridazin-6-one
CID 170791232
1-pyrimidin-2-ylbutane-1,2,4-triol
CID 171871708
1-(4-fluorophenyl)butane-1,2,4-triol
CID 171871723
3-(2-hydroxyethylamino)-1H-pyridazin-6-one
CID 71322666
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681
2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid
CID 3400443
3-[1-bromo-2-(2-fluorophenyl)-2-oxoethyl]-1H-pyridazin-6-one
CID 87892491
1-pyrimidin-5-ylbutane-1,2,4-triol
CID 171871701
5-(4-bromo-1,2-dihydroxybutyl)-1H-pyridin-2-one
CID 171893071
1-(5-phenyl-1H-pyrazol-4-yl)butane-1,2,4-triol
CID 171873055

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one (CID 171871760) is 3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one is O=c1ccc(C(O)C(O)CCO)n[nH]1.
What is the InChIKey of 3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one?
The InChIKey is FEMAWNJJFOXNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-4-3-6(12)8(14)5-1-2-7(13)10-9-5/h1-2,6,8,11-12,14H,3-4H2,(H,10,13).
What are the key properties of 3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one?
3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one has a molecular weight of 200.19 g/mol, XLogP of -1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one is sourced from PubChem (CID 171871760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).