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

C8H12N2O2 — CID 82442238

IUPAC6-(hydroxymethyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(CO)ccc1=O
InChIInChI=1S/C8H12N2O2/c1-2-5-10-8(12)4-3-7(6-11)9-10/h3-4,11H,2,5-6H2,1H3
InChIKeyQCOJZODBRXUTFB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.15
Rot. Bonds3

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

6-(hydroxymethyl)-2-propylpyridazin-3-one (PubChem CID 82442238) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-propylpyridazin-3-one
PubChem CID82442238
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-(hydroxymethyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(CO)ccc1=O
InChIInChI=1S/C8H12N2O2/c1-2-5-10-8(12)4-3-7(6-11)9-10/h3-4,11H,2,5-6H2,1H3
InChIKeyQCOJZODBRXUTFB-UHFFFAOYSA-N
XLogP0.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-Hydroxyethyl)-2-methylpyridazin-3-one
CID 52943043
6-(Hydroxymethyl)-2-methyl-pyridazin-3-one
CID 52947892
1,6-Dihydro-6-oxo-1-propyl-3-pyridazinecarboxylic acid
CID 2119245
1-Butyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 1965473
1-Ethyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2084045
1-(3-Fluoropropyl)-6-oxopyridazine-3-carboxylic acid
CID 114696016
2-(3-Fluoro-2-hydroxypropyl)-6-methyl-2,3-dihydropyridazin-3-one
CID 165591202
6-Methyl-2-propylpyridazin-3-one
CID 12504076
1-Isopropyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 52057201
2-(2-Hydroxyethyl)-6-methyl-2,3-dihydropyridazin-3-one
CID 53991005
6-(3-Hydroxypent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69966514
6-(3-Hydroxybut-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69967230

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(hydroxymethyl)-2-propylpyridazin-3-one (CID 82442238) is 6-(hydroxymethyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(hydroxymethyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(hydroxymethyl)-2-propylpyridazin-3-one is CCCn1nc(CO)ccc1=O.
What is the InChIKey of 6-(hydroxymethyl)-2-propylpyridazin-3-one?
The InChIKey is QCOJZODBRXUTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-5-10-8(12)4-3-7(6-11)9-10/h3-4,11H,2,5-6H2,1H3.
What are the key properties of 6-(hydroxymethyl)-2-propylpyridazin-3-one?
6-(hydroxymethyl)-2-propylpyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82442238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).