2-(4-methyl-6-oxopyridazin-1-yl)acetic acid

C7H8N2O3 — CID 66939440

IUPAC2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1cnn(CC(=O)O)c(=O)c1
InChIInChI=1S/C7H8N2O3/c1-5-2-6(10)9(8-3-5)4-7(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyHOZPEVQFQJSYKM-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.36
Rot. Bonds2

About 2-(4-methyl-6-oxopyridazin-1-yl)acetic acid

2-(4-methyl-6-oxopyridazin-1-yl)acetic acid (PubChem CID 66939440) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
PubChem CID66939440
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1cnn(CC(=O)O)c(=O)c1
InChIInChI=1S/C7H8N2O3/c1-5-2-6(10)9(8-3-5)4-7(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyHOZPEVQFQJSYKM-UHFFFAOYSA-N
XLogP-0.36
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)acetic acid (CID 66939440) is 2-(4-methyl-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-6-oxopyridazin-1-yl)acetic acid is Cc1cnn(CC(=O)O)c(=O)c1.
What is the InChIKey of 2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is HOZPEVQFQJSYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5-2-6(10)9(8-3-5)4-7(11)12/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
2-(4-methyl-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 168.15 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 66939440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).