N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride

C8H10FN5O3S — CID 166414336

IUPACN-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride
SMILESCN(Cc1nnc2c(=O)n(C)ccn12)S(=O)(=O)F
InChIInChI=1S/C8H10FN5O3S/c1-12-3-4-14-6(5-13(2)18(9,16)17)10-11-7(14)8(12)15/h3-4H,5H2,1-2H3
InChIKeyUCUKZNZICVYIGA-UHFFFAOYSA-N
MW275.27 g/mol
LogP-0.93
Rot. Bonds3

About N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride

N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride (PubChem CID 166414336) has the molecular formula C8H10FN5O3S and a molecular weight of 275.27 g/mol. Its IUPAC name is N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride.

Molecular Properties

Compound NameN-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride
PubChem CID166414336
Molecular FormulaC8H10FN5O3S
Molecular Weight275.27 g/mol
Exact Mass275.05
IUPAC NameN-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride
SMILESCN(Cc1nnc2c(=O)n(C)ccn12)S(=O)(=O)F
InChIInChI=1S/C8H10FN5O3S/c1-12-3-4-14-6(5-13(2)18(9,16)17)10-11-7(14)8(12)15/h3-4H,5H2,1-2H3
InChIKeyUCUKZNZICVYIGA-UHFFFAOYSA-N
XLogP-0.93
TPSA89.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride?
The IUPAC name of N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride (CID 166414336) is N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride.
What is the SMILES notation for N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride?
The canonical SMILES for N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride is CN(Cc1nnc2c(=O)n(C)ccn12)S(=O)(=O)F.
What is the InChIKey of N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride?
The InChIKey is UCUKZNZICVYIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN5O3S/c1-12-3-4-14-6(5-13(2)18(9,16)17)10-11-7(14)8(12)15/h3-4H,5H2,1-2H3.
What are the key properties of N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride?
N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride has a molecular weight of 275.27 g/mol, XLogP of -0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride is sourced from PubChem (CID 166414336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).