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

C8H12N2O2 — CID 140890768

IUPAC6-(2-hydroxypropyl)-2-methylpyridazin-3-one
SMILESCC(O)Cc1ccc(=O)n(C)n1
InChIInChI=1S/C8H12N2O2/c1-6(11)5-7-3-4-8(12)10(2)9-7/h3-4,6,11H,5H2,1-2H3
InChIKeyZPKGEAHCIFLDDP-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.30
Rot. Bonds2

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

6-(2-hydroxypropyl)-2-methylpyridazin-3-one (PubChem CID 140890768) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-(2-hydroxypropyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-hydroxypropyl)-2-methylpyridazin-3-one
PubChem CID140890768
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-(2-hydroxypropyl)-2-methylpyridazin-3-one
SMILESCC(O)Cc1ccc(=O)n(C)n1
InChIInChI=1S/C8H12N2O2/c1-6(11)5-7-3-4-8(12)10(2)9-7/h3-4,6,11H,5H2,1-2H3
InChIKeyZPKGEAHCIFLDDP-UHFFFAOYSA-N
XLogP-0.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(2-hydroxypropyl)-2-methylpyridazin-3-one (CID 140890768) is 6-(2-hydroxypropyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(2-hydroxypropyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(2-hydroxypropyl)-2-methylpyridazin-3-one is CC(O)Cc1ccc(=O)n(C)n1.
What is the InChIKey of 6-(2-hydroxypropyl)-2-methylpyridazin-3-one?
The InChIKey is ZPKGEAHCIFLDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(11)5-7-3-4-8(12)10(2)9-7/h3-4,6,11H,5H2,1-2H3.
What are the key properties of 6-(2-hydroxypropyl)-2-methylpyridazin-3-one?
6-(2-hydroxypropyl)-2-methylpyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 140890768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).