2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid

C9H9N3O4 — CID 10822956

IUPAC2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(=O)c2noc(C)c12
InChIInChI=1S/C9H9N3O4/c1-4-7-5(2)16-11-8(7)9(15)12(10-4)3-6(13)14/h3H2,1-2H3,(H,13,14)
InChIKeyGHWJPYRLTHXIGU-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.09
Rot. Bonds2

About 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid

2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid (PubChem CID 10822956) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid
PubChem CID10822956
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(=O)c2noc(C)c12
InChIInChI=1S/C9H9N3O4/c1-4-7-5(2)16-11-8(7)9(15)12(10-4)3-6(13)14/h3H2,1-2H3,(H,13,14)
InChIKeyGHWJPYRLTHXIGU-UHFFFAOYSA-N
XLogP0.09
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid?
The IUPAC name of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid (CID 10822956) is 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid.
What is the SMILES notation for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid?
The canonical SMILES for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid is Cc1nn(CC(=O)O)c(=O)c2noc(C)c12.
What is the InChIKey of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid?
The InChIKey is GHWJPYRLTHXIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-4-7-5(2)16-11-8(7)9(15)12(10-4)3-6(13)14/h3H2,1-2H3,(H,13,14).
What are the key properties of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid?
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid has a molecular weight of 223.19 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetic acid is sourced from PubChem (CID 10822956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).