6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one

C12H12N4OS — CID 167849517

IUPAC6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one
SMILESCCn1ccc(-n2nc(C)c3ccsc3c2=O)n1
InChIInChI=1S/C12H12N4OS/c1-3-15-6-4-10(14-15)16-12(17)11-9(5-7-18-11)8(2)13-16/h4-7H,3H2,1-2H3
InChIKeyGDFTVURUJLNVIB-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.97
Rot. Bonds2

About 6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one

6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one (PubChem CID 167849517) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one
PubChem CID167849517
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one
SMILESCCn1ccc(-n2nc(C)c3ccsc3c2=O)n1
InChIInChI=1S/C12H12N4OS/c1-3-15-6-4-10(14-15)16-12(17)11-9(5-7-18-11)8(2)13-16/h4-7H,3H2,1-2H3
InChIKeyGDFTVURUJLNVIB-UHFFFAOYSA-N
XLogP1.97
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one
CID 167785831
3-(1-ethylpyrazol-3-yl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 114251236
4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one
CID 166400154
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
1-ethyl-3-methylpyrazole
CID 12002774
argon;ethane;1-ethyl-3-methylpyrazole
CID 160730731
1-(1-ethylpyrazol-3-yl)-5-propyltriazole-4-carboxylic acid
CID 114250754
5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione
CID 114250623
1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione
CID 130495926
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35205907
1-ethyl-3-(1-methylpyrazol-3-yl)pyrazole
CID 175388618
11-methyl-8-propyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-triene-7,12-dione
CID 53074360

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one?
The IUPAC name of 6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one (CID 167849517) is 6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one.
What is the SMILES notation for 6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one?
The canonical SMILES for 6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one is CCn1ccc(-n2nc(C)c3ccsc3c2=O)n1.
What is the InChIKey of 6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one?
The InChIKey is GDFTVURUJLNVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-3-15-6-4-10(14-15)16-12(17)11-9(5-7-18-11)8(2)13-16/h4-7H,3H2,1-2H3.
What are the key properties of 6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one?
6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one has a molecular weight of 260.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one is sourced from PubChem (CID 167849517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).