2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid

C8H9N5O2 — CID 84674904

IUPAC2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
SMILESCNc1ccc2nnc(CC(=O)O)n2n1
InChIInChI=1S/C8H9N5O2/c1-9-5-2-3-6-10-11-7(4-8(14)15)13(6)12-5/h2-3H,4H2,1H3,(H,9,12)(H,14,15)
InChIKeyOWQFYAJCAYSQBA-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.21
Rot. Bonds3

About 2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid

2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid (PubChem CID 84674904) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
PubChem CID84674904
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
SMILESCNc1ccc2nnc(CC(=O)O)n2n1
InChIInChI=1S/C8H9N5O2/c1-9-5-2-3-6-10-11-7(4-8(14)15)13(6)12-5/h2-3H,4H2,1H3,(H,9,12)(H,14,15)
InChIKeyOWQFYAJCAYSQBA-UHFFFAOYSA-N
XLogP-0.21
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid?
The IUPAC name of 2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid (CID 84674904) is 2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid?
The canonical SMILES for 2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid is CNc1ccc2nnc(CC(=O)O)n2n1.
What is the InChIKey of 2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid?
The InChIKey is OWQFYAJCAYSQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-9-5-2-3-6-10-11-7(4-8(14)15)13(6)12-5/h2-3H,4H2,1H3,(H,9,12)(H,14,15).
What are the key properties of 2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid?
2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid has a molecular weight of 207.19 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid is sourced from PubChem (CID 84674904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).