3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole

C10H15ClN4S — CID 79925031

IUPAC3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole
SMILESClc1nsnc1N1CCN2CCCCC2C1
InChIInChI=1S/C10H15ClN4S/c11-9-10(13-16-12-9)15-6-5-14-4-2-1-3-8(14)7-15/h8H,1-7H2
InChIKeyJDMZYEJZJBEBQE-UHFFFAOYSA-N
MW258.78 g/mol
LogP1.87
Rot. Bonds1

About 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole (PubChem CID 79925031) has the molecular formula C10H15ClN4S and a molecular weight of 258.78 g/mol. Its IUPAC name is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole
PubChem CID79925031
Molecular FormulaC10H15ClN4S
Molecular Weight258.78 g/mol
Exact Mass258.07
IUPAC Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole
SMILESClc1nsnc1N1CCN2CCCCC2C1
InChIInChI=1S/C10H15ClN4S/c11-9-10(13-16-12-9)15-6-5-14-4-2-1-3-8(14)7-15/h8H,1-7H2
InChIKeyJDMZYEJZJBEBQE-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole?
The IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole (CID 79925031) is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole?
The canonical SMILES for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole is Clc1nsnc1N1CCN2CCCCC2C1.
What is the InChIKey of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole?
The InChIKey is JDMZYEJZJBEBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S/c11-9-10(13-16-12-9)15-6-5-14-4-2-1-3-8(14)7-15/h8H,1-7H2.
What are the key properties of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole?
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole has a molecular weight of 258.78 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole is sourced from PubChem (CID 79925031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).