8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C12H22N4O — CID 103028648

IUPAC8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(CC(C)(C)OC)nnc21
InChIInChI=1S/C12H22N4O/c1-5-9-11-15-14-10(8-12(2,3)17-4)16(11)7-6-13-9/h9,13H,5-8H2,1-4H3
InChIKeyZVFHTUOVGKRAEJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds4

About 8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103028648) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID103028648
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(CC(C)(C)OC)nnc21
InChIInChI=1S/C12H22N4O/c1-5-9-11-15-14-10(8-12(2,3)17-4)16(11)7-6-13-9/h9,13H,5-8H2,1-4H3
InChIKeyZVFHTUOVGKRAEJ-UHFFFAOYSA-N
XLogP1.30
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 103028648) is 8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC1NCCn2c(CC(C)(C)OC)nnc21.
What is the InChIKey of 8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZVFHTUOVGKRAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-9-11-15-14-10(8-12(2,3)17-4)16(11)7-6-13-9/h9,13H,5-8H2,1-4H3.
What are the key properties of 8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 238.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103028648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).