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

C10H13N5OS — CID 110401586

IUPACN-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1nn2cnnc2s1)C1CCC1
InChIInChI=1S/C10H13N5OS/c16-9(7-2-1-3-7)11-5-4-8-14-15-6-12-13-10(15)17-8/h6-7H,1-5H2,(H,11,16)
InChIKeyAOEPDBAJMYEDQC-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.64
Rot. Bonds4

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

N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide (PubChem CID 110401586) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide
PubChem CID110401586
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC NameN-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1nn2cnnc2s1)C1CCC1
InChIInChI=1S/C10H13N5OS/c16-9(7-2-1-3-7)11-5-4-8-14-15-6-12-13-10(15)17-8/h6-7H,1-5H2,(H,11,16)
InChIKeyAOEPDBAJMYEDQC-UHFFFAOYSA-N
XLogP0.64
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110401579
N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide
CID 110401907
N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385604
N-propan-2-yl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385605
N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385606
N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385608
N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385609
N-butan-2-yl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385610
N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385612
N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385614
N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385618
N-[2-(dimethylamino)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385621

Frequently Asked Questions

What is the IUPAC name of N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide (CID 110401586) is N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide is O=C(NCCc1nn2cnnc2s1)C1CCC1.
What is the InChIKey of N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is AOEPDBAJMYEDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c16-9(7-2-1-3-7)11-5-4-8-14-15-6-12-13-10(15)17-8/h6-7H,1-5H2,(H,11,16).
What are the key properties of N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide?
N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 110401586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).