4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one

C12H14N2O2S — CID 82446954

IUPAC4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
SMILESCCCn1nc(-c2cccs2)cc(CO)c1=O
InChIInChI=1S/C12H14N2O2S/c1-2-5-14-12(16)9(8-15)7-10(13-14)11-4-3-6-17-11/h3-4,6-7,15H,2,5,8H2,1H3
InChIKeyCYVFKYKQDOMIIH-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.87
Rot. Bonds4

About 4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one

4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one (PubChem CID 82446954) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
PubChem CID82446954
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
SMILESCCCn1nc(-c2cccs2)cc(CO)c1=O
InChIInChI=1S/C12H14N2O2S/c1-2-5-14-12(16)9(8-15)7-10(13-14)11-4-3-6-17-11/h3-4,6-7,15H,2,5,8H2,1H3
InChIKeyCYVFKYKQDOMIIH-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one
CID 82446684
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808
2-butyl-3-oxo-6-thiophen-2-ylpyridazine-4-carbonitrile
CID 82447208
2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
CID 82445328
2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one
CID 82445319
1-butyl-3-thiophen-2-ylpyrazol-5-amine
CID 61270917
3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
CID 82516662
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 110928296
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
CID 121211921
4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one
CID 82447694
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one (CID 82446954) is 4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one is CCCn1nc(-c2cccs2)cc(CO)c1=O.
What is the InChIKey of 4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is CYVFKYKQDOMIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-5-14-12(16)9(8-15)7-10(13-14)11-4-3-6-17-11/h3-4,6-7,15H,2,5,8H2,1H3.
What are the key properties of 4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one?
4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 250.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 82446954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).