5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid

C16H12N6O2 — CID 90675887

IUPAC5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid
SMILESCc1cccc(-c2[nH]c(C(=O)O)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C16H12N6O2/c1-9-3-2-4-11(19-9)14-13(20-15(21-14)16(23)24)10-5-6-12-17-8-18-22(12)7-10/h2-8H,1H3,(H,20,21)(H,23,24)
InChIKeyIHXWENLALOPFEU-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.19
Rot. Bonds3

About 5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid

5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid (PubChem CID 90675887) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid
PubChem CID90675887
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid
SMILESCc1cccc(-c2[nH]c(C(=O)O)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C16H12N6O2/c1-9-3-2-4-11(19-9)14-13(20-15(21-14)16(23)24)10-5-6-12-17-8-18-22(12)7-10/h2-8H,1H3,(H,20,21)(H,23,24)
InChIKeyIHXWENLALOPFEU-UHFFFAOYSA-N
XLogP2.19
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid (CID 90675887) is 5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid is Cc1cccc(-c2[nH]c(C(=O)O)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid?
The InChIKey is IHXWENLALOPFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c1-9-3-2-4-11(19-9)14-13(20-15(21-14)16(23)24)10-5-6-12-17-8-18-22(12)7-10/h2-8H,1H3,(H,20,21)(H,23,24).
What are the key properties of 5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid?
5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid has a molecular weight of 320.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 90675887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).