2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid

C8H10N2O4 — CID 63271216

IUPAC2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid
SMILESCc1c(C)c(=O)n(CC(=O)O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-4-5(2)8(14)10(3-6(11)12)9-7(4)13/h3H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyRBNWOOXKJPZILR-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.76
Rot. Bonds2

About 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid

2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid (PubChem CID 63271216) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid
PubChem CID63271216
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid
SMILESCc1c(C)c(=O)n(CC(=O)O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-4-5(2)8(14)10(3-6(11)12)9-7(4)13/h3H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyRBNWOOXKJPZILR-UHFFFAOYSA-N
XLogP-0.76
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid?
The IUPAC name of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid (CID 63271216) is 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid?
The canonical SMILES for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid is Cc1c(C)c(=O)n(CC(=O)O)[nH]c1=O.
What is the InChIKey of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid?
The InChIKey is RBNWOOXKJPZILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-5(2)8(14)10(3-6(11)12)9-7(4)13/h3H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid?
2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid has a molecular weight of 198.18 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetic acid is sourced from PubChem (CID 63271216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).