4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole

C11H17ClN4S — CID 115824241

IUPAC4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole
SMILESClc1snnc1CN1CCN2CCCCC2C1
InChIInChI=1S/C11H17ClN4S/c12-11-10(13-14-17-11)8-15-5-6-16-4-2-1-3-9(16)7-15/h9H,1-8H2
InChIKeyHRXZETDJZPHOEB-UHFFFAOYSA-N
MW272.80 g/mol
LogP1.86
Rot. Bonds2

About 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole (PubChem CID 115824241) has the molecular formula C11H17ClN4S and a molecular weight of 272.80 g/mol. Its IUPAC name is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole.

Molecular Properties

Compound Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole
PubChem CID115824241
Molecular FormulaC11H17ClN4S
Molecular Weight272.80 g/mol
Exact Mass272.09
IUPAC Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole
SMILESClc1snnc1CN1CCN2CCCCC2C1
InChIInChI=1S/C11H17ClN4S/c12-11-10(13-14-17-11)8-15-5-6-16-4-2-1-3-9(16)7-15/h9H,1-8H2
InChIKeyHRXZETDJZPHOEB-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole 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

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole
CID 112734077
5-chloro-4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]thiadiazole
CID 113237768
1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine
CID 61295551
2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62356472
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
(8aS)-2-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124755288
5-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]thiadiazole
CID 55037270
4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
CID 62370305
5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole
CID 43409300
5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole
CID 43408566
(2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 95978192
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole?
The IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole (CID 115824241) is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole.
What is the SMILES notation for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole?
The canonical SMILES for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole is Clc1snnc1CN1CCN2CCCCC2C1.
What is the InChIKey of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole?
The InChIKey is HRXZETDJZPHOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4S/c12-11-10(13-14-17-11)8-15-5-6-16-4-2-1-3-9(16)7-15/h9H,1-8H2.
What are the key properties of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole?
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole has a molecular weight of 272.80 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole is sourced from PubChem (CID 115824241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).