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

C9H12ClN5S — CID 89488458

IUPAC2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
SMILESCc1nc(-c2nnc3n2CCNC3)cs1.Cl
InChIInChI=1S/C9H11N5S.ClH/c1-6-11-7(5-15-6)9-13-12-8-4-10-2-3-14(8)9;/h5,10H,2-4H2,1H3;1H
InChIKeyRJKLKVDFRCSQNB-UHFFFAOYSA-N
MW257.75 g/mol
LogP1.24
Rot. Bonds1

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

2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride (PubChem CID 89488458) has the molecular formula C9H12ClN5S and a molecular weight of 257.75 g/mol. Its IUPAC name is 2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
PubChem CID89488458
Molecular FormulaC9H12ClN5S
Molecular Weight257.75 g/mol
Exact Mass257.05
IUPAC Name2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
SMILESCc1nc(-c2nnc3n2CCNC3)cs1.Cl
InChIInChI=1S/C9H11N5S.ClH/c1-6-11-7(5-15-6)9-13-12-8-4-10-2-3-14(8)9;/h5,10H,2-4H2,1H3;1H
InChIKeyRJKLKVDFRCSQNB-UHFFFAOYSA-N
XLogP1.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride (CID 89488458) is 2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride is Cc1nc(-c2nnc3n2CCNC3)cs1.Cl.
What is the InChIKey of 2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
The InChIKey is RJKLKVDFRCSQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S.ClH/c1-6-11-7(5-15-6)9-13-12-8-4-10-2-3-14(8)9;/h5,10H,2-4H2,1H3;1H.
What are the key properties of 2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride has a molecular weight of 257.75 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 89488458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).