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

C9H13ClN6S — CID 89488432

IUPAC3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride
SMILESCc1nsc(-c2nnc3n2CCNC3C)n1.Cl
InChIInChI=1S/C9H12N6S.ClH/c1-5-7-12-13-8(15(7)4-3-10-5)9-11-6(2)14-16-9;/h5,10H,3-4H2,1-2H3;1H
InChIKeyGNEWLTDOXNCFAI-UHFFFAOYSA-N
MW272.77 g/mol
LogP1.19
Rot. Bonds1

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

3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride (PubChem CID 89488432) has the molecular formula C9H13ClN6S and a molecular weight of 272.77 g/mol. Its IUPAC name is 3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride
PubChem CID89488432
Molecular FormulaC9H13ClN6S
Molecular Weight272.77 g/mol
Exact Mass272.06
IUPAC Name3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride
SMILESCc1nsc(-c2nnc3n2CCNC3C)n1.Cl
InChIInChI=1S/C9H12N6S.ClH/c1-5-7-12-13-8(15(7)4-3-10-5)9-11-6(2)14-16-9;/h5,10H,3-4H2,1-2H3;1H
InChIKeyGNEWLTDOXNCFAI-UHFFFAOYSA-N
XLogP1.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride?
The IUPAC name of 3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride (CID 89488432) is 3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride?
The canonical SMILES for 3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride is Cc1nsc(-c2nnc3n2CCNC3C)n1.Cl.
What is the InChIKey of 3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride?
The InChIKey is GNEWLTDOXNCFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S.ClH/c1-5-7-12-13-8(15(7)4-3-10-5)9-11-6(2)14-16-9;/h5,10H,3-4H2,1-2H3;1H.
What are the key properties of 3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride?
3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride has a molecular weight of 272.77 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole;hydrochloride is sourced from PubChem (CID 89488432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).