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

C9H14N4O4S — CID 64575399

IUPAC4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C9H14N4O4S/c14-9(15)2-1-5-18(16,17)13-4-3-12-7-10-11-8(12)6-13/h7H,1-6H2,(H,14,15)
InChIKeyCUBQZAQYARKWBB-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.71
Rot. Bonds5

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

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid (PubChem CID 64575399) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid
PubChem CID64575399
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C9H14N4O4S/c14-9(15)2-1-5-18(16,17)13-4-3-12-7-10-11-8(12)6-13/h7H,1-6H2,(H,14,15)
InChIKeyCUBQZAQYARKWBB-UHFFFAOYSA-N
XLogP-0.71
TPSA105.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid?
The IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid (CID 64575399) is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid.
What is the SMILES notation for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid?
The canonical SMILES for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid is O=C(O)CCCS(=O)(=O)N1CCn2cnnc2C1.
What is the InChIKey of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid?
The InChIKey is CUBQZAQYARKWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c14-9(15)2-1-5-18(16,17)13-4-3-12-7-10-11-8(12)6-13/h7H,1-6H2,(H,14,15).
What are the key properties of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid?
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid has a molecular weight of 274.30 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid is sourced from PubChem (CID 64575399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).