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

C16H21ClF3N5S — CID 120847238

IUPAC3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CN2CCC(c3nnc4n3CCNC4)CC2)s1
InChIInChI=1S/C16H20F3N5S.ClH/c17-16(18,19)13-2-1-12(25-13)10-23-6-3-11(4-7-23)15-22-21-14-9-20-5-8-24(14)15;/h1-2,11,20H,3-10H2;1H
InChIKeyRMUNHTGUHAYEDQ-UHFFFAOYSA-N
MW407.89 g/mol
LogP3.26
Rot. Bonds3

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

3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (PubChem CID 120847238) has the molecular formula C16H21ClF3N5S and a molecular weight of 407.89 g/mol. Its IUPAC name is 3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
PubChem CID120847238
Molecular FormulaC16H21ClF3N5S
Molecular Weight407.89 g/mol
Exact Mass407.12
IUPAC Name3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CN2CCC(c3nnc4n3CCNC4)CC2)s1
InChIInChI=1S/C16H20F3N5S.ClH/c17-16(18,19)13-2-1-12(25-13)10-23-6-3-11(4-7-23)15-22-21-14-9-20-5-8-24(14)15;/h1-2,11,20H,3-10H2;1H
InChIKeyRMUNHTGUHAYEDQ-UHFFFAOYSA-N
XLogP3.26
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826361
2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 120825995
3-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826231
2-cyclopentyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120825896
1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833623
3-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120847215
5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 120825893
3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 92625433
3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826038
2-(4-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120825956
3-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826052
4-cyclopropyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120847310

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The IUPAC name of 3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (CID 120847238) is 3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.
What is the SMILES notation for 3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The canonical SMILES for 3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is Cl.FC(F)(F)c1ccc(CN2CCC(c3nnc4n3CCNC4)CC2)s1.
What is the InChIKey of 3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The InChIKey is RMUNHTGUHAYEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5S.ClH/c17-16(18,19)13-2-1-12(25-13)10-23-6-3-11(4-7-23)15-22-21-14-9-20-5-8-24(14)15;/h1-2,11,20H,3-10H2;1H.
What are the key properties of 3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride has a molecular weight of 407.89 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is sourced from PubChem (CID 120847238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).