8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C14H20N4S — CID 102792172

IUPAC8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc(-c2nnc3n2CCNC3C(C)(C)C)s1
InChIInChI=1S/C14H20N4S/c1-9-5-6-10(19-9)12-16-17-13-11(14(2,3)4)15-7-8-18(12)13/h5-6,11,15H,7-8H2,1-4H3
InChIKeyIIPCSIOCLLVZIJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.01
Rot. Bonds1

About 8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792172) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792172
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc(-c2nnc3n2CCNC3C(C)(C)C)s1
InChIInChI=1S/C14H20N4S/c1-9-5-6-10(19-9)12-16-17-13-11(14(2,3)4)15-7-8-18(12)13/h5-6,11,15H,7-8H2,1-4H3
InChIKeyIIPCSIOCLLVZIJ-UHFFFAOYSA-N
XLogP3.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

8-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792155
8-tert-butyl-3-(6-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792109
3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792161
3-(3-bicyclo[3.1.0]hexanyl)-8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792079
3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117152855
8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792045
3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 65238063
8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792076
8-tert-butyl-3-heptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792154
3-(5-bromo-4-methylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 79996329
8-tert-butyl-3-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103217898
8-cyclopropyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791866

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792172) is 8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ccc(-c2nnc3n2CCNC3C(C)(C)C)s1.
What is the InChIKey of 8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IIPCSIOCLLVZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9-5-6-10(19-9)12-16-17-13-11(14(2,3)4)15-7-8-18(12)13/h5-6,11,15H,7-8H2,1-4H3.
What are the key properties of 8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 276.41 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).