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

C16H22N4S — CID 102792155

IUPAC8-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
SMILESCC(C)(C)C1NCCn2c(-c3cc4c(s3)CCC4)nnc21
InChIInChI=1S/C16H22N4S/c1-16(2,3)13-15-19-18-14(20(15)8-7-17-13)12-9-10-5-4-6-11(10)21-12/h9,13,17H,4-8H2,1-3H3
InChIKeyKAWPKNITWFDXJE-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.19
Rot. Bonds1

About 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

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 (PubChem CID 102792155) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID102792155
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name8-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
SMILESCC(C)(C)C1NCCn2c(-c3cc4c(s3)CCC4)nnc21
InChIInChI=1S/C16H22N4S/c1-16(2,3)13-15-19-18-14(20(15)8-7-17-13)12-9-10-5-4-6-11(10)21-12/h9,13,17H,4-8H2,1-3H3
InChIKeyKAWPKNITWFDXJE-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792172
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
N,4-dimethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596381
(3S)-1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797993
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
8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792045
8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103560656
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine
CID 43158807
4-ethyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole
CID 115394685
8-tert-butyl-3-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103217898

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1NCCn2c(-c3cc4c(s3)CCC4)nnc21.
What is the InChIKey of 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?
The InChIKey is KAWPKNITWFDXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-16(2,3)13-15-19-18-14(20(15)8-7-17-13)12-9-10-5-4-6-11(10)21-12/h9,13,17H,4-8H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 302.45 g/mol, XLogP of 3.19, 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-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).