9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide

C11H8N4O2 — CID 155581738

IUPAC9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide
SMILESNC(=O)c1cc2cccc(O)c2n2cnnc12
InChIInChI=1S/C11H8N4O2/c12-10(17)7-4-6-2-1-3-8(16)9(6)15-5-13-14-11(7)15/h1-5,16H,(H2,12,17)
InChIKeyVIIFEPRKGBRXRY-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.69
Rot. Bonds1

About 9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide

9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide (PubChem CID 155581738) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide.

Molecular Properties

Compound Name9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide
PubChem CID155581738
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide
SMILESNC(=O)c1cc2cccc(O)c2n2cnnc12
InChIInChI=1S/C11H8N4O2/c12-10(17)7-4-6-2-1-3-8(16)9(6)15-5-13-14-11(7)15/h1-5,16H,(H2,12,17)
InChIKeyVIIFEPRKGBRXRY-UHFFFAOYSA-N
XLogP0.69
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide?
The IUPAC name of 9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide (CID 155581738) is 9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide.
What is the SMILES notation for 9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide?
The canonical SMILES for 9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide is NC(=O)c1cc2cccc(O)c2n2cnnc12.
What is the InChIKey of 9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide?
The InChIKey is VIIFEPRKGBRXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-10(17)7-4-6-2-1-3-8(16)9(6)15-5-13-14-11(7)15/h1-5,16H,(H2,12,17).
What are the key properties of 9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide?
9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide has a molecular weight of 228.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide is sourced from PubChem (CID 155581738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).