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

C13H22N4O — CID 63953601

IUPAC8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(CCC3CCCCO3)nnc21
InChIInChI=1S/C13H22N4O/c1-10-13-16-15-12(17(13)8-7-14-10)6-5-11-4-2-3-9-18-11/h10-11,14H,2-9H2,1H3
InChIKeyGAUQXZIIHQGMDQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.44
Rot. Bonds3

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

8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 63953601) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID63953601
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(CCC3CCCCO3)nnc21
InChIInChI=1S/C13H22N4O/c1-10-13-16-15-12(17(13)8-7-14-10)6-5-11-4-2-3-9-18-11/h10-11,14H,2-9H2,1H3
InChIKeyGAUQXZIIHQGMDQ-UHFFFAOYSA-N
XLogP1.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 63953601) is 8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1NCCn2c(CCC3CCCCO3)nnc21.
What is the InChIKey of 8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GAUQXZIIHQGMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-13-16-15-12(17(13)8-7-14-10)6-5-11-4-2-3-9-18-11/h10-11,14H,2-9H2,1H3.
What are the key properties of 8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 250.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 63953601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).