2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid

C9H9N5O2S — CID 80568639

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C9H9N5O2S/c15-8(16)6-4-17-9(11-6)13-1-2-14-5-10-12-7(14)3-13/h4-5H,1-3H2,(H,15,16)
InChIKeySPMNAWFQTHSBAG-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.45
Rot. Bonds2

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 80568639) has the molecular formula C9H9N5O2S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID80568639
Molecular FormulaC9H9N5O2S
Molecular Weight251.27 g/mol
Exact Mass251.05
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C9H9N5O2S/c15-8(16)6-4-17-9(11-6)13-1-2-14-5-10-12-7(14)3-13/h4-5H,1-3H2,(H,15,16)
InChIKeySPMNAWFQTHSBAG-UHFFFAOYSA-N
XLogP0.45
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-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 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid (CID 80568639) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(N2CCn3cnnc3C2)n1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is SPMNAWFQTHSBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S/c15-8(16)6-4-17-9(11-6)13-1-2-14-5-10-12-7(14)3-13/h4-5H,1-3H2,(H,15,16).
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 251.27 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).