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

C16H22N4O — CID 102792045

IUPAC8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)C1NCCn2c(COc3ccccc3)nnc21
InChIInChI=1S/C16H22N4O/c1-16(2,3)14-15-19-18-13(20(15)10-9-17-14)11-21-12-7-5-4-6-8-12/h4-8,14,17H,9-11H2,1-3H3
InChIKeyOYMPOYMJXWWNKX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.55
Rot. Bonds3

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

8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792045) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792045
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)C1NCCn2c(COc3ccccc3)nnc21
InChIInChI=1S/C16H22N4O/c1-16(2,3)14-15-19-18-13(20(15)10-9-17-14)11-21-12-7-5-4-6-8-12/h4-8,14,17H,9-11H2,1-3H3
InChIKeyOYMPOYMJXWWNKX-UHFFFAOYSA-N
XLogP2.55
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-tert-butyl-3-(phenoxymethyl)-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-heptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792154
3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791803
8-tert-butyl-3-(6-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792109
8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792172
3-(methoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792402
3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine
CID 626571
8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792076
N,4-diethyl-5-(phenoxymethyl)-1,2,4-triazol-3-amine
CID 112596730
4-tert-butyl-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CID 115390611
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
3-[(4-chlorophenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586615
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

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792045) is 8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)C1NCCn2c(COc3ccccc3)nnc21.
What is the InChIKey of 8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OYMPOYMJXWWNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)14-15-19-18-13(20(15)10-9-17-14)11-21-12-7-5-4-6-8-12/h4-8,14,17H,9-11H2,1-3H3.
What are the key properties of 8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 286.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).