4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid

C11H8N4O3S — CID 66437798

IUPAC4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid
SMILESCc1nnc2c(Oc3csc(C(=O)O)c3)nccn12
InChIInChI=1S/C11H8N4O3S/c1-6-13-14-9-10(12-2-3-15(6)9)18-7-4-8(11(16)17)19-5-7/h2-5H,1H3,(H,16,17)
InChIKeyPPJQBCUMGSLSOL-UHFFFAOYSA-N
MW276.28 g/mol
LogP1.98
Rot. Bonds3

About 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid

4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid (PubChem CID 66437798) has the molecular formula C11H8N4O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid
PubChem CID66437798
Molecular FormulaC11H8N4O3S
Molecular Weight276.28 g/mol
Exact Mass276.03
IUPAC Name4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid
SMILESCc1nnc2c(Oc3csc(C(=O)O)c3)nccn12
InChIInChI=1S/C11H8N4O3S/c1-6-13-14-9-10(12-2-3-15(6)9)18-7-4-8(11(16)17)19-5-7/h2-5H,1H3,(H,16,17)
InChIKeyPPJQBCUMGSLSOL-UHFFFAOYSA-N
XLogP1.98
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid (CID 66437798) is 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid is Cc1nnc2c(Oc3csc(C(=O)O)c3)nccn12.
What is the InChIKey of 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid?
The InChIKey is PPJQBCUMGSLSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3S/c1-6-13-14-9-10(12-2-3-15(6)9)18-7-4-8(11(16)17)19-5-7/h2-5H,1H3,(H,16,17).
What are the key properties of 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid?
4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid has a molecular weight of 276.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66437798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).