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

C12H17N5OS — CID 24870599

IUPACN-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCCC(c2nn3c(C)nnc3s2)C1
InChIInChI=1S/C12H17N5OS/c1-7-14-15-12-17(7)16-11(19-12)9-4-3-5-10(6-9)13-8(2)18/h9-10H,3-6H2,1-2H3,(H,13,18)
InChIKeyUSSKEUQAEVGVJI-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.66
Rot. Bonds2

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

N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide (PubChem CID 24870599) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide
PubChem CID24870599
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCCC(c2nn3c(C)nnc3s2)C1
InChIInChI=1S/C12H17N5OS/c1-7-14-15-12-17(7)16-11(19-12)9-4-3-5-10(6-9)13-8(2)18/h9-10H,3-6H2,1-2H3,(H,13,18)
InChIKeyUSSKEUQAEVGVJI-UHFFFAOYSA-N
XLogP1.66
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide?
The IUPAC name of N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide (CID 24870599) is N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide.
What is the SMILES notation for N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide?
The canonical SMILES for N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide is CC(=O)NC1CCCC(c2nn3c(C)nnc3s2)C1.
What is the InChIKey of N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide?
The InChIKey is USSKEUQAEVGVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-7-14-15-12-17(7)16-11(19-12)9-4-3-5-10(6-9)13-8(2)18/h9-10H,3-6H2,1-2H3,(H,13,18).
What are the key properties of N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide?
N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide is sourced from PubChem (CID 24870599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).