N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide

C6H9N5O2S2 — CID 110401126

IUPACN-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide
SMILESCc1nnc2sc(CNS(C)(=O)=O)nn12
InChIInChI=1S/C6H9N5O2S2/c1-4-8-9-6-11(4)10-5(14-6)3-7-15(2,12)13/h7H,3H2,1-2H3
InChIKeyBXZZSFYHMFLCLZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.46
Rot. Bonds3

About N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide

N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide (PubChem CID 110401126) has the molecular formula C6H9N5O2S2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide
PubChem CID110401126
Molecular FormulaC6H9N5O2S2
Molecular Weight247.30 g/mol
Exact Mass247.02
IUPAC NameN-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide
SMILESCc1nnc2sc(CNS(C)(=O)=O)nn12
InChIInChI=1S/C6H9N5O2S2/c1-4-8-9-6-11(4)10-5(14-6)3-7-15(2,12)13/h7H,3H2,1-2H3
InChIKeyBXZZSFYHMFLCLZ-UHFFFAOYSA-N
XLogP-0.46
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide (CID 110401126) is N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide is Cc1nnc2sc(CNS(C)(=O)=O)nn12.
What is the InChIKey of N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide?
The InChIKey is BXZZSFYHMFLCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2S2/c1-4-8-9-6-11(4)10-5(14-6)3-7-15(2,12)13/h7H,3H2,1-2H3.
What are the key properties of N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide?
N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide has a molecular weight of 247.30 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110401126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).