2-(hydroxymethyl)-6-methylpyridazin-3-one

C6H8N2O2 — CID 13048124

IUPAC2-(hydroxymethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CO)n1
InChIInChI=1S/C6H8N2O2/c1-5-2-3-6(10)8(4-9)7-5/h2-3,9H,4H2,1H3
InChIKeyZSYBWDPTJXSHOT-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.50
Rot. Bonds1

About 2-(hydroxymethyl)-6-methylpyridazin-3-one

2-(hydroxymethyl)-6-methylpyridazin-3-one (PubChem CID 13048124) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methylpyridazin-3-one
PubChem CID13048124
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(hydroxymethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CO)n1
InChIInChI=1S/C6H8N2O2/c1-5-2-3-6(10)8(4-9)7-5/h2-3,9H,4H2,1H3
InChIKeyZSYBWDPTJXSHOT-UHFFFAOYSA-N
XLogP-0.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(hydroxymethyl)-6-methylpyridazin-3-one (CID 13048124) is 2-(hydroxymethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(hydroxymethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(hydroxymethyl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(CO)n1.
What is the InChIKey of 2-(hydroxymethyl)-6-methylpyridazin-3-one?
The InChIKey is ZSYBWDPTJXSHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5-2-3-6(10)8(4-9)7-5/h2-3,9H,4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methylpyridazin-3-one?
2-(hydroxymethyl)-6-methylpyridazin-3-one has a molecular weight of 140.14 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 13048124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).