2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid

C10H10N2O3S — CID 170245550

IUPAC2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid
SMILESCc1sc(C)c2c(=O)[nH]nc(CC(=O)O)c12
InChIInChI=1S/C10H10N2O3S/c1-4-8-6(3-7(13)14)11-12-10(15)9(8)5(2)16-4/h3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyPCHYVAXRZYZNSM-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.23
Rot. Bonds2

About 2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid

2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid (PubChem CID 170245550) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid
PubChem CID170245550
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid
SMILESCc1sc(C)c2c(=O)[nH]nc(CC(=O)O)c12
InChIInChI=1S/C10H10N2O3S/c1-4-8-6(3-7(13)14)11-12-10(15)9(8)5(2)16-4/h3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyPCHYVAXRZYZNSM-UHFFFAOYSA-N
XLogP1.23
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid?
The IUPAC name of 2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid (CID 170245550) is 2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid.
What is the SMILES notation for 2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid?
The canonical SMILES for 2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid is Cc1sc(C)c2c(=O)[nH]nc(CC(=O)O)c12.
What is the InChIKey of 2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid?
The InChIKey is PCHYVAXRZYZNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-4-8-6(3-7(13)14)11-12-10(15)9(8)5(2)16-4/h3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid?
2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid has a molecular weight of 238.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1-oxo-2H-thieno[3,4-d]pyridazin-4-yl)acetic acid is sourced from PubChem (CID 170245550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).