[3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride

C16H20ClF2N5OS2 — CID 120824195

IUPAC[3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1sccc1SC(F)F)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C16H19F2N5OS2.ClH/c17-16(18)26-11-3-8-25-13(11)15(24)22-5-1-10(2-6-22)14-21-20-12-9-19-4-7-23(12)14;/h3,8,10,16,19H,1-2,4-7,9H2;1H
InChIKeyIWKFVFQNWRHIOI-UHFFFAOYSA-N
MW435.95 g/mol
LogP3.20
Rot. Bonds4

About [3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride

[3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 120824195) has the molecular formula C16H20ClF2N5OS2 and a molecular weight of 435.95 g/mol. Its IUPAC name is [3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
PubChem CID120824195
Molecular FormulaC16H20ClF2N5OS2
Molecular Weight435.95 g/mol
Exact Mass435.08
IUPAC Name[3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1sccc1SC(F)F)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C16H19F2N5OS2.ClH/c17-16(18)26-11-3-8-25-13(11)15(24)22-5-1-10(2-6-22)14-21-20-12-9-19-4-7-23(12)14;/h3,8,10,16,19H,1-2,4-7,9H2;1H
InChIKeyIWKFVFQNWRHIOI-UHFFFAOYSA-N
XLogP3.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;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-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823495
(4-fluoro-3-methylsulfanylphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120822901
(5-bromothiophen-3-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823172
[3-(difluoromethyl)phenyl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823862
(2,4-dichlorophenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823234
(5-bromo-3-methylfuran-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824231
[4-(dimethylamino)-2-fluorophenyl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823974
[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120823741
(2-methyl-5-methylsulfanylphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824065
4,5,6,7-tetrahydro-1-benzothiophen-3-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823268
[3-(dimethylamino)phenyl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823752
1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 120823644

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride (CID 120824195) is [3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride is Cl.O=C(c1sccc1SC(F)F)N1CCC(c2nnc3n2CCNC3)CC1.
What is the InChIKey of [3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is IWKFVFQNWRHIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5OS2.ClH/c17-16(18)26-11-3-8-25-13(11)15(24)22-5-1-10(2-6-22)14-21-20-12-9-19-4-7-23(12)14;/h3,8,10,16,19H,1-2,4-7,9H2;1H.
What are the key properties of [3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride?
[3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 435.95 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120824195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).