6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid

C6H3ClN4O2 — CID 10488205

IUPAC6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid
SMILESO=C(O)c1cc2ncnn2nc1Cl
InChIInChI=1S/C6H3ClN4O2/c7-5-3(6(12)13)1-4-8-2-9-11(4)10-5/h1-2H,(H,12,13)
InChIKeyJZDQUXWPHUHOFW-UHFFFAOYSA-N
MW198.57 g/mol
LogP0.48
Rot. Bonds1

About 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid

6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid (PubChem CID 10488205) has the molecular formula C6H3ClN4O2 and a molecular weight of 198.57 g/mol. Its IUPAC name is 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid.

Molecular Properties

Compound Name6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid
PubChem CID10488205
Molecular FormulaC6H3ClN4O2
Molecular Weight198.57 g/mol
Exact Mass197.99
IUPAC Name6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid
SMILESO=C(O)c1cc2ncnn2nc1Cl
InChIInChI=1S/C6H3ClN4O2/c7-5-3(6(12)13)1-4-8-2-9-11(4)10-5/h1-2H,(H,12,13)
InChIKeyJZDQUXWPHUHOFW-UHFFFAOYSA-N
XLogP0.48
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.57
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-cyanopyridine-3-carboxylic acid
CID 55219588
6-chloro-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 84723210
5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 139529600
4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 154729332
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
2-chloro-5-methylpyridine-3-carboxylic acid;methyl 2-chloro-5-methylpyridine-3-carboxylate
CID 159563322
6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 15234878
4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt
CID 171921195
2-chloro-3-formylpyridine-4-carboxylic acid
CID 70700634
2,6,7-trichloroquinoline-3-carboxylic acid
CID 22341156
5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid
CID 167685517
6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 169264396

Frequently Asked Questions

What is the IUPAC name of 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid?
The IUPAC name of 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid (CID 10488205) is 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid.
What is the SMILES notation for 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid?
The canonical SMILES for 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid is O=C(O)c1cc2ncnn2nc1Cl.
What is the InChIKey of 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid?
The InChIKey is JZDQUXWPHUHOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4O2/c7-5-3(6(12)13)1-4-8-2-9-11(4)10-5/h1-2H,(H,12,13).
What are the key properties of 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid?
6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid has a molecular weight of 198.57 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid is sourced from PubChem (CID 10488205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).