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

C11H20N4O — CID 103028647

IUPAC8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c1nnc2C(C)(C)OC
InChIInChI=1S/C11H20N4O/c1-5-8-9-13-14-10(11(2,3)16-4)15(9)7-6-12-8/h8,12H,5-7H2,1-4H3
InChIKeyRCMKRIHKXMQPBG-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.21
Rot. Bonds3

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

8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103028647) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID103028647
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c1nnc2C(C)(C)OC
InChIInChI=1S/C11H20N4O/c1-5-8-9-13-14-10(11(2,3)16-4)15(9)7-6-12-8/h8,12H,5-7H2,1-4H3
InChIKeyRCMKRIHKXMQPBG-UHFFFAOYSA-N
XLogP1.21
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.21
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-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 103028647) is 8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC1NCCn2c1nnc2C(C)(C)OC.
What is the InChIKey of 8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RCMKRIHKXMQPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-8-9-13-14-10(11(2,3)16-4)15(9)7-6-12-8/h8,12H,5-7H2,1-4H3.
What are the key properties of 8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 224.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103028647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).