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

C11H16N4O4S — CID 103343102

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H16N4O4S/c16-11(17)8-2-1-3-9(8)20(18,19)15-5-4-14-7-12-13-10(14)6-15/h7-9H,1-6H2,(H,16,17)
InChIKeyQTVRDMCHTFZVBB-UHFFFAOYSA-N
MW300.34 g/mol
LogP-0.32
Rot. Bonds3

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid (PubChem CID 103343102) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid
PubChem CID103343102
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H16N4O4S/c16-11(17)8-2-1-3-9(8)20(18,19)15-5-4-14-7-12-13-10(14)6-15/h7-9H,1-6H2,(H,16,17)
InChIKeyQTVRDMCHTFZVBB-UHFFFAOYSA-N
XLogP-0.32
TPSA105.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64574877
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 64579091
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64576901
7-(4-bromophenyl)sulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 63934102
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)thiophene-2-carbothioamide
CID 106271349
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone
CID 79385316
6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
CID 126815797
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid
CID 107215368
2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342291
2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343565
7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64577576

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid (CID 103343102) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1S(=O)(=O)N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid?
The InChIKey is QTVRDMCHTFZVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c16-11(17)8-2-1-3-9(8)20(18,19)15-5-4-14-7-12-13-10(14)6-15/h7-9H,1-6H2,(H,16,17).
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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-ylsulfonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).