2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid

C9H9N3O3S — CID 22112772

IUPAC2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(=O)c2c(N)scc12
InChIInChI=1S/C9H9N3O3S/c1-4-5-3-16-8(10)7(5)9(15)12(11-4)2-6(13)14/h3H,2,10H2,1H3,(H,13,14)
InChIKeyOXGSIYXQSRADLZ-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.43
Rot. Bonds2

About 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid

2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid (PubChem CID 22112772) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid
PubChem CID22112772
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(=O)c2c(N)scc12
InChIInChI=1S/C9H9N3O3S/c1-4-5-3-16-8(10)7(5)9(15)12(11-4)2-6(13)14/h3H,2,10H2,1H3,(H,13,14)
InChIKeyOXGSIYXQSRADLZ-UHFFFAOYSA-N
XLogP0.43
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid?
The IUPAC name of 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid (CID 22112772) is 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid?
The canonical SMILES for 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid is Cc1nn(CC(=O)O)c(=O)c2c(N)scc12.
What is the InChIKey of 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid?
The InChIKey is OXGSIYXQSRADLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-4-5-3-16-8(10)7(5)9(15)12(11-4)2-6(13)14/h3H,2,10H2,1H3,(H,13,14).
What are the key properties of 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid?
2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid has a molecular weight of 239.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetic acid is sourced from PubChem (CID 22112772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).