4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one

C6H10N2O4 — CID 85221599

IUPAC4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(CO)C(O)C(O)C1=O
InChIInChI=1S/C6H10N2O4/c1-8-6(12)5(11)4(10)3(2-9)7-8/h4-5,9-11H,2H2,1H3
InChIKeyCBDMXGMKDAQNMF-UHFFFAOYSA-N
MW174.16 g/mol
LogP-2.47
Rot. Bonds1

About 4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one

4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 85221599) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID85221599
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(CO)C(O)C(O)C1=O
InChIInChI=1S/C6H10N2O4/c1-8-6(12)5(11)4(10)3(2-9)7-8/h4-5,9-11H,2H2,1H3
InChIKeyCBDMXGMKDAQNMF-UHFFFAOYSA-N
XLogP-2.47
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-2.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dihydroxy-6-(hydroxymethyl)-2-methyldiazinan-3-one
CID 85212921
(4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyldiazinan-3-one
CID 101067779
(3R,4R)-3,4-dihydroxy-1-octylpyrrolidine-2,5-dione
CID 14669715
2-methyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 20801972
3-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)propanoic acid
CID 61307485
(3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one
CID 101158160
(2S,3R,4R,5R)-6-(hydroxymethyl)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 10773584
(3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one
CID 44566015
(3R,4S,5S,6R)-3,4,5,6-tetrahydroxy-1-(6-hydroxyhexyl)azepan-2-one
CID 57338756
(6S,7S)-5,6-dihydroxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;ethanol;methane
CID 160728842
1-methyl-5-oxo-3-propan-2-yl-N-prop-2-ynyl-4H-pyrazole-4-carboxamide
CID 75439155
2,4-dimethyl-4H-pyrazol-3-one
CID 535243

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one (CID 85221599) is 4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(CO)C(O)C(O)C1=O.
What is the InChIKey of 4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is CBDMXGMKDAQNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-8-6(12)5(11)4(10)3(2-9)7-8/h4-5,9-11H,2H2,1H3.
What are the key properties of 4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one?
4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 174.16 g/mol, XLogP of -2.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 85221599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).