3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole

C12H16N6OS — CID 162353860

IUPAC3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
SMILESCOC[C@H]1NCCn2c(-c3nc(C4CC4)ns3)nnc21
InChIInChI=1S/C12H16N6OS/c1-19-6-8-10-15-16-11(18(10)5-4-13-8)12-14-9(17-20-12)7-2-3-7/h7-8,13H,2-6H2,1H3/t8-/m1/s1
InChIKeyLPSCGSFSQBGKAQ-MRVPVSSYSA-N
MW292.37 g/mol
LogP0.96
Rot. Bonds4

About 3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole (PubChem CID 162353860) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
PubChem CID162353860
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
SMILESCOC[C@H]1NCCn2c(-c3nc(C4CC4)ns3)nnc21
InChIInChI=1S/C12H16N6OS/c1-19-6-8-10-15-16-11(18(10)5-4-13-8)12-14-9(17-20-12)7-2-3-7/h7-8,13H,2-6H2,1H3/t8-/m1/s1
InChIKeyLPSCGSFSQBGKAQ-MRVPVSSYSA-N
XLogP0.96
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole (CID 162353860) is 3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-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-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole is COC[C@H]1NCCn2c(-c3nc(C4CC4)ns3)nnc21.
What is the InChIKey of 3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The InChIKey is LPSCGSFSQBGKAQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-19-6-8-10-15-16-11(18(10)5-4-13-8)12-14-9(17-20-12)7-2-3-7/h7-8,13H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of 3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole has a molecular weight of 292.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(8S)-8-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 162353860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).