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

C19H28ClN5OS — CID 120826282

IUPAC3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCOc1cc(CN2CCC(c3nnc4n3CCNC4)CC2)ccc1SC.Cl
InChIInChI=1S/C19H27N5OS.ClH/c1-25-16-11-14(3-4-17(16)26-2)13-23-8-5-15(6-9-23)19-22-21-18-12-20-7-10-24(18)19;/h3-4,11,15,20H,5-10,12-13H2,1-2H3;1H
InChIKeyDFOJJQZOHCWNIF-UHFFFAOYSA-N
MW409.99 g/mol
LogP2.91
Rot. Bonds5

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

3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (PubChem CID 120826282) has the molecular formula C19H28ClN5OS and a molecular weight of 409.99 g/mol. Its IUPAC name is 3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
PubChem CID120826282
Molecular FormulaC19H28ClN5OS
Molecular Weight409.99 g/mol
Exact Mass409.17
IUPAC Name3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCOc1cc(CN2CCC(c3nnc4n3CCNC4)CC2)ccc1SC.Cl
InChIInChI=1S/C19H27N5OS.ClH/c1-25-16-11-14(3-4-17(16)26-2)13-23-8-5-15(6-9-23)19-22-21-18-12-20-7-10-24(18)19;/h3-4,11,15,20H,5-10,12-13H2,1-2H3;1H
InChIKeyDFOJJQZOHCWNIF-UHFFFAOYSA-N
XLogP2.91
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.99
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826315
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-[(4,5-dimethoxy-2-methylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826025
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
CID 117384517
3-[1-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120825879
2-(3-methoxy-4-methylphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120823703
3-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826231
3-[1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120825851
3-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120825915
3-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826452
3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826172
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The IUPAC name of 3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (CID 120826282) is 3-[1-[(3-methoxy-4-methylsulfanylphenyl)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-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The canonical SMILES for 3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is COc1cc(CN2CCC(c3nnc4n3CCNC4)CC2)ccc1SC.Cl.
What is the InChIKey of 3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The InChIKey is DFOJJQZOHCWNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS.ClH/c1-25-16-11-14(3-4-17(16)26-2)13-23-8-5-15(6-9-23)19-22-21-18-12-20-7-10-24(18)19;/h3-4,11,15,20H,5-10,12-13H2,1-2H3;1H.
What are the key properties of 3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride has a molecular weight of 409.99 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is sourced from PubChem (CID 120826282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).