6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one

C10H16N2O2 — CID 82442260

IUPAC6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(C)(C)O)ccc1=O
InChIInChI=1S/C10H16N2O2/c1-4-7-12-9(13)6-5-8(11-12)10(2,3)14/h5-6,14H,4,7H2,1-3H3
InChIKeyYOWDSGPHEAJRCG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.88
Rot. Bonds3

About 6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one

6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one (PubChem CID 82442260) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one
PubChem CID82442260
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(C)(C)O)ccc1=O
InChIInChI=1S/C10H16N2O2/c1-4-7-12-9(13)6-5-8(11-12)10(2,3)14/h5-6,14H,4,7H2,1-3H3
InChIKeyYOWDSGPHEAJRCG-UHFFFAOYSA-N
XLogP0.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Ethyl-3-hydroxypent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69966785
6-(3-Hydroxy-3-methylpent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69967008
6-(3-Hydroxy-3,4-dimethylpent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 91594789
2-(2-Methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 138715793
5-Hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one
CID 142777716
1-(3-Methylbutyl)-6-oxopyridazine-3-carboxylic acid
CID 61414622
N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 79290472
N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 79291398
2-(3-Hydroxy-3-methylbutyl)-6-methylpyridazin-3-one
CID 79361714
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 79387642
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 79388014
6-(2-Hydroxypropan-2-yl)-2-methylpyridazin-3-one
CID 82442097

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one (CID 82442260) is 6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one is CCCn1nc(C(C)(C)O)ccc1=O.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one?
The InChIKey is YOWDSGPHEAJRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-7-12-9(13)6-5-8(11-12)10(2,3)14/h5-6,14H,4,7H2,1-3H3.
What are the key properties of 6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one?
6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one has a molecular weight of 196.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82442260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).