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

C15H26ClN5S — CID 120847304

IUPAC3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESC1Cn2c(nnc2C2CCN(CC3CCSC3)CC2)CN1.Cl
InChIInChI=1S/C15H25N5S.ClH/c1-5-19(10-12-3-8-21-11-12)6-2-13(1)15-18-17-14-9-16-4-7-20(14)15;/h12-13,16H,1-11H2;1H
InChIKeySXJMRKAJEJBJOS-UHFFFAOYSA-N
MW343.93 g/mol
LogP1.74
Rot. Bonds3

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

3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (PubChem CID 120847304) has the molecular formula C15H26ClN5S and a molecular weight of 343.93 g/mol. Its IUPAC name is 3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
PubChem CID120847304
Molecular FormulaC15H26ClN5S
Molecular Weight343.93 g/mol
Exact Mass343.16
IUPAC Name3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESC1Cn2c(nnc2C2CCN(CC3CCSC3)CC2)CN1.Cl
InChIInChI=1S/C15H25N5S.ClH/c1-5-19(10-12-3-8-21-11-12)6-2-13(1)15-18-17-14-9-16-4-7-20(14)15;/h12-13,16H,1-11H2;1H
InChIKeySXJMRKAJEJBJOS-UHFFFAOYSA-N
XLogP1.74
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.93
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 73439810
3-cyclooctyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 65020958
3-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826231
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
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-[[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
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
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
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
3-[1-[(3-bromo-4-methylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826218
3-[1-[(4-chloro-2,6-dimethylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826041
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The IUPAC name of 3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (CID 120847304) is 3-[1-(thiolan-3-ylmethyl)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-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The canonical SMILES for 3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is C1Cn2c(nnc2C2CCN(CC3CCSC3)CC2)CN1.Cl.
What is the InChIKey of 3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The InChIKey is SXJMRKAJEJBJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S.ClH/c1-5-19(10-12-3-8-21-11-12)6-2-13(1)15-18-17-14-9-16-4-7-20(14)15;/h12-13,16H,1-11H2;1H.
What are the key properties of 3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride has a molecular weight of 343.93 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiolan-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is sourced from PubChem (CID 120847304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).