2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

C10H7N5O2 — CID 43477915

IUPAC2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-n2cncn2)nc2ccccn12
InChIInChI=1S/C10H7N5O2/c16-10(17)8-9(15-6-11-5-12-15)13-7-3-1-2-4-14(7)8/h1-6H,(H,16,17)
InChIKeyMTBJPPKFBZUUDT-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.61
Rot. Bonds2

About 2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 43477915) has the molecular formula C10H7N5O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID43477915
Molecular FormulaC10H7N5O2
Molecular Weight229.20 g/mol
Exact Mass229.06
IUPAC Name2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-n2cncn2)nc2ccccn12
InChIInChI=1S/C10H7N5O2/c16-10(17)8-9(15-6-11-5-12-15)13-7-3-1-2-4-14(7)8/h1-6H,(H,16,17)
InChIKeyMTBJPPKFBZUUDT-UHFFFAOYSA-N
XLogP0.61
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 54980142
3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine
CID 107085672
2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 66083555
2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61227192
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106314441
2-(2-carbamoylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477869
2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43584666
2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63163885
2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102958616
2-(2-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 135044398
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358940
2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 116635079

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 43477915) is 2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(-n2cncn2)nc2ccccn12.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is MTBJPPKFBZUUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2/c16-10(17)8-9(15-6-11-5-12-15)13-7-3-1-2-4-14(7)8/h1-6H,(H,16,17).
What are the key properties of 2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 229.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 43477915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).