3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole

C11H13FN6S — CID 155711739

IUPAC3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
SMILESC[C@H]1NCCn2c(-c3nc(C4(F)CC4)ns3)nnc21
InChIInChI=1S/C11H13FN6S/c1-6-7-15-16-8(18(7)5-4-13-6)9-14-10(17-19-9)11(12)2-3-11/h6,13H,2-5H2,1H3/t6-/m1/s1
InChIKeyBEIXXTAQZDQBGO-ZCFIWIBFSA-N
MW280.33 g/mol
LogP1.42
Rot. Bonds2

About 3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole

3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole (PubChem CID 155711739) has the molecular formula C11H13FN6S and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
PubChem CID155711739
Molecular FormulaC11H13FN6S
Molecular Weight280.33 g/mol
Exact Mass280.09
IUPAC Name3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
SMILESC[C@H]1NCCn2c(-c3nc(C4(F)CC4)ns3)nnc21
InChIInChI=1S/C11H13FN6S/c1-6-7-15-16-8(18(7)5-4-13-6)9-14-10(17-19-9)11(12)2-3-11/h6,13H,2-5H2,1H3/t6-/m1/s1
InChIKeyBEIXXTAQZDQBGO-ZCFIWIBFSA-N
XLogP1.42
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole
CID 71861530
3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-thiadiazol-5-amine
CID 71921384
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 71921387
3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-thiadiazol-5-amine
CID 71971827
Fezolinetant Impurity 3
CID 71550323
5-[(8R)-8-ethenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-(1-fluorocyclopropyl)-1,2,4-thiadiazole
CID 155227629
5-[8-[2-(3,3-Difluoropyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-1,2,4-thiadiazole
CID 162353793
3-methyl-5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
CID 71550324
5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 71550325
5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 71550326
3-Methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole
CID 78108331
5-(8-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-propan-2-yl-1,2,4-thiadiazole
CID 78108332

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole (CID 155711739) is 3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole is C[C@H]1NCCn2c(-c3nc(C4(F)CC4)ns3)nnc21.
What is the InChIKey of 3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The InChIKey is BEIXXTAQZDQBGO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H13FN6S/c1-6-7-15-16-8(18(7)5-4-13-6)9-14-10(17-19-9)11(12)2-3-11/h6,13H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of 3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole has a molecular weight of 280.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 155711739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).