5-hydroxy-2-methylpyridazin-3-one

C5H6N2O2 — CID 58493404

IUPAC5-hydroxy-2-methylpyridazin-3-one
SMILESCn1ncc(O)cc1=O
InChIInChI=1S/C5H6N2O2/c1-7-5(9)2-4(8)3-6-7/h2-3,8H,1H3
InChIKeyJTEWEGJCDPOJFI-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.51
Rot. Bonds

About 5-hydroxy-2-methylpyridazin-3-one

5-hydroxy-2-methylpyridazin-3-one (PubChem CID 58493404) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5-hydroxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-methylpyridazin-3-one
PubChem CID58493404
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name5-hydroxy-2-methylpyridazin-3-one
SMILESCn1ncc(O)cc1=O
InChIInChI=1S/C5H6N2O2/c1-7-5(9)2-4(8)3-6-7/h2-3,8H,1H3
InChIKeyJTEWEGJCDPOJFI-UHFFFAOYSA-N
XLogP-0.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylpyridazin-3-one?
The IUPAC name of 5-hydroxy-2-methylpyridazin-3-one (CID 58493404) is 5-hydroxy-2-methylpyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-methylpyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-methylpyridazin-3-one is Cn1ncc(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-methylpyridazin-3-one?
The InChIKey is JTEWEGJCDPOJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-7-5(9)2-4(8)3-6-7/h2-3,8H,1H3.
What are the key properties of 5-hydroxy-2-methylpyridazin-3-one?
5-hydroxy-2-methylpyridazin-3-one has a molecular weight of 126.11 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylpyridazin-3-one is sourced from PubChem (CID 58493404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).