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

C15H20ClF3N6S — CID 120847220

IUPAC2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1cnc(CN2CCC(c3nnc4n3CCNC4)CC2)s1
InChIInChI=1S/C15H19F3N6S.ClH/c16-15(17,18)11-7-20-13(25-11)9-23-4-1-10(2-5-23)14-22-21-12-8-19-3-6-24(12)14;/h7,10,19H,1-6,8-9H2;1H
InChIKeyTYYWNZCCRFTNCU-UHFFFAOYSA-N
MW408.88 g/mol
LogP2.66
Rot. Bonds3

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

2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride (PubChem CID 120847220) has the molecular formula C15H20ClF3N6S and a molecular weight of 408.88 g/mol. Its IUPAC name is 2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
PubChem CID120847220
Molecular FormulaC15H20ClF3N6S
Molecular Weight408.88 g/mol
Exact Mass408.11
IUPAC Name2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1cnc(CN2CCC(c3nnc4n3CCNC4)CC2)s1
InChIInChI=1S/C15H19F3N6S.ClH/c16-15(17,18)11-7-20-13(25-11)9-23-4-1-10(2-5-23)14-22-21-12-8-19-3-6-24(12)14;/h7,10,19H,1-6,8-9H2;1H
InChIKeyTYYWNZCCRFTNCU-UHFFFAOYSA-N
XLogP2.66
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride (CID 120847220) is 2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride is Cl.FC(F)(F)c1cnc(CN2CCC(c3nnc4n3CCNC4)CC2)s1.
What is the InChIKey of 2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The InChIKey is TYYWNZCCRFTNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6S.ClH/c16-15(17,18)11-7-20-13(25-11)9-23-4-1-10(2-5-23)14-22-21-12-8-19-3-6-24(12)14;/h7,10,19H,1-6,8-9H2;1H.
What are the key properties of 2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride has a molecular weight of 408.88 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120847220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).