2H-triazolo[4,5-c]pyridine-4-carboxylic acid

C6H4N4O2 — CID 105432278

IUPAC2H-triazolo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)c1nccc2n[nH]nc12
InChIInChI=1S/C6H4N4O2/c11-6(12)5-4-3(1-2-7-5)8-10-9-4/h1-2H,(H,11,12)(H,8,9,10)
InChIKeyWWLWPVZJTJKIKG-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.05
Rot. Bonds1

About 2H-triazolo[4,5-c]pyridine-4-carboxylic acid

2H-triazolo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 105432278) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 2H-triazolo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2H-triazolo[4,5-c]pyridine-4-carboxylic acid
PubChem CID105432278
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name2H-triazolo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)c1nccc2n[nH]nc12
InChIInChI=1S/C6H4N4O2/c11-6(12)5-4-3(1-2-7-5)8-10-9-4/h1-2H,(H,11,12)(H,8,9,10)
InChIKeyWWLWPVZJTJKIKG-UHFFFAOYSA-N
XLogP0.05
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-triazolo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 2H-triazolo[4,5-c]pyridine-4-carboxylic acid (CID 105432278) is 2H-triazolo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2H-triazolo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2H-triazolo[4,5-c]pyridine-4-carboxylic acid is O=C(O)c1nccc2n[nH]nc12.
What is the InChIKey of 2H-triazolo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is WWLWPVZJTJKIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c11-6(12)5-4-3(1-2-7-5)8-10-9-4/h1-2H,(H,11,12)(H,8,9,10).
What are the key properties of 2H-triazolo[4,5-c]pyridine-4-carboxylic acid?
2H-triazolo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 164.12 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazolo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 105432278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).