6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one

C10H12N2O2 — CID 90776536

IUPAC6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C#CCO)ccc1=O
InChIInChI=1S/C10H12N2O2/c1-8(2)12-10(14)6-5-9(11-12)4-3-7-13/h5-6,8,13H,7H2,1-2H3
InChIKeyDHLGWHZPEWSVPA-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.17
Rot. Bonds1

About 6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one

6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one (PubChem CID 90776536) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one
PubChem CID90776536
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C#CCO)ccc1=O
InChIInChI=1S/C10H12N2O2/c1-8(2)12-10(14)6-5-9(11-12)4-3-7-13/h5-6,8,13H,7H2,1-2H3
InChIKeyDHLGWHZPEWSVPA-UHFFFAOYSA-N
XLogP0.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-ethynyl-2-isopropyl-3(2H)-pyridazinone
CID 45096154
2-(2-Hydroxyethyl)-6-methyl-2,3-dihydropyridazin-3-one
CID 53991005
6-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 58336912
CID 59303826
CID 59303826
6-(3-Hydroxypent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69966514
6-(3-Hydroxy-3-methylbut-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69966780
6-(3-Hydroxy-3-methylpent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69967008
6-[3-(Methoxymethoxy)prop-1-ynyl]-2-propan-2-ylpyridazin-3-one
CID 69967086
6-(3-Hydroxybut-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69967230
6-(3-Hydroxy-4-methylpent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 91011669
CID 140659590
CID 140659590
6-(Hydroxymethyl)-2-propan-2-ylpyridazin-3-one
CID 156372809

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one (CID 90776536) is 6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(C#CCO)ccc1=O.
What is the InChIKey of 6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one?
The InChIKey is DHLGWHZPEWSVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8(2)12-10(14)6-5-9(11-12)4-3-7-13/h5-6,8,13H,7H2,1-2H3.
What are the key properties of 6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one?
6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one has a molecular weight of 192.22 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyprop-1-ynyl)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 90776536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).