2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C9H6N6O2 — CID 136923432

IUPAC2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3cn[nH]n3)[nH]c12
InChIInChI=1S/C9H6N6O2/c16-9(17)4-1-2-10-8-6(4)12-7(13-8)5-3-11-15-14-5/h1-3H,(H,16,17)(H,10,12,13)(H,11,14,15)
InChIKeyOVNMKGHWZNHCLV-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.44
Rot. Bonds2

About 2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 136923432) has the molecular formula C9H6N6O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID136923432
Molecular FormulaC9H6N6O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3cn[nH]n3)[nH]c12
InChIInChI=1S/C9H6N6O2/c16-9(17)4-1-2-10-8-6(4)12-7(13-8)5-3-11-15-14-5/h1-3H,(H,16,17)(H,10,12,13)(H,11,14,15)
InChIKeyOVNMKGHWZNHCLV-UHFFFAOYSA-N
XLogP0.44
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 136923432) is 2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(-c3cn[nH]n3)[nH]c12.
What is the InChIKey of 2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is OVNMKGHWZNHCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6O2/c16-9(17)4-1-2-10-8-6(4)12-7(13-8)5-3-11-15-14-5/h1-3H,(H,16,17)(H,10,12,13)(H,11,14,15).
What are the key properties of 2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 230.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 136923432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).