2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid

C10H10N2O3S — CID 121349770

IUPAC2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid
SMILESCc1sc2c(=O)n(CC(=O)O)ncc2c1C
InChIInChI=1S/C10H10N2O3S/c1-5-6(2)16-9-7(5)3-11-12(10(9)15)4-8(13)14/h3H,4H2,1-2H3,(H,13,14)
InChIKeyNACDEKCZXQKNBE-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.16
Rot. Bonds2

About 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid

2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid (PubChem CID 121349770) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid
PubChem CID121349770
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid
SMILESCc1sc2c(=O)n(CC(=O)O)ncc2c1C
InChIInChI=1S/C10H10N2O3S/c1-5-6(2)16-9-7(5)3-11-12(10(9)15)4-8(13)14/h3H,4H2,1-2H3,(H,13,14)
InChIKeyNACDEKCZXQKNBE-UHFFFAOYSA-N
XLogP1.16
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-methyl-1-oxophthalazin-2-yl)acetic acid
CID 125455649
2-(5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl)acetic acid
CID 59512229
2-[7-[(4-fluorophenyl)methyl]-4-methyl-9-oxo-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl]acetic acid
CID 16672547
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid
CID 22334744
2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetic acid
CID 129219626
2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid
CID 59004239
2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid
CID 162727245
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetic acid
CID 20887936
2-(5-methylpyrazol-1-yl)acetic acid
CID 7018400
2-(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
CID 135992873
2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid
CID 83635686
2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid
CID 115055555

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid?
The IUPAC name of 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid (CID 121349770) is 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid?
The canonical SMILES for 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid is Cc1sc2c(=O)n(CC(=O)O)ncc2c1C.
What is the InChIKey of 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid?
The InChIKey is NACDEKCZXQKNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-5-6(2)16-9-7(5)3-11-12(10(9)15)4-8(13)14/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid?
2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid has a molecular weight of 238.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetic acid is sourced from PubChem (CID 121349770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).