4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one

C10H10N2OS — CID 2727396

IUPAC4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one
SMILESCc1c(-c2cccs2)n[nH]c(=O)c1C
InChIInChI=1S/C10H10N2OS/c1-6-7(2)10(13)12-11-9(6)8-4-3-5-14-8/h3-5H,1-2H3,(H,12,13)
InChIKeyDTELMYOJQLWFDA-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.12
Rot. Bonds1

About 4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one

4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one (PubChem CID 2727396) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one
PubChem CID2727396
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one
SMILESCc1c(-c2cccs2)n[nH]c(=O)c1C
InChIInChI=1S/C10H10N2OS/c1-6-7(2)10(13)12-11-9(6)8-4-3-5-14-8/h3-5H,1-2H3,(H,12,13)
InChIKeyDTELMYOJQLWFDA-UHFFFAOYSA-N
XLogP2.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one?
The IUPAC name of 4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one (CID 2727396) is 4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one is Cc1c(-c2cccs2)n[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one?
The InChIKey is DTELMYOJQLWFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6-7(2)10(13)12-11-9(6)8-4-3-5-14-8/h3-5H,1-2H3,(H,12,13).
What are the key properties of 4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one?
4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one has a molecular weight of 206.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-thiophen-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 2727396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).