2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride

C6H9FN4O3S — CID 154880480

IUPAC2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride
SMILESCn1nc2n(c1=O)CCN(S(=O)(=O)F)C2
InChIInChI=1S/C6H9FN4O3S/c1-9-6(12)11-3-2-10(15(7,13)14)4-5(11)8-9/h2-4H2,1H3
InChIKeySTLWEDDUDIUKMG-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.39
Rot. Bonds1

About 2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride

2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride (PubChem CID 154880480) has the molecular formula C6H9FN4O3S and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride.

Molecular Properties

Compound Name2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride
PubChem CID154880480
Molecular FormulaC6H9FN4O3S
Molecular Weight236.23 g/mol
Exact Mass236.04
IUPAC Name2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride
SMILESCn1nc2n(c1=O)CCN(S(=O)(=O)F)C2
InChIInChI=1S/C6H9FN4O3S/c1-9-6(12)11-3-2-10(15(7,13)14)4-5(11)8-9/h2-4H2,1H3
InChIKeySTLWEDDUDIUKMG-UHFFFAOYSA-N
XLogP-1.39
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride?
The IUPAC name of 2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride (CID 154880480) is 2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride.
What is the SMILES notation for 2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride?
The canonical SMILES for 2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride is Cn1nc2n(c1=O)CCN(S(=O)(=O)F)C2.
What is the InChIKey of 2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride?
The InChIKey is STLWEDDUDIUKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O3S/c1-9-6(12)11-3-2-10(15(7,13)14)4-5(11)8-9/h2-4H2,1H3.
What are the key properties of 2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride?
2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride has a molecular weight of 236.23 g/mol, XLogP of -1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride is sourced from PubChem (CID 154880480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).