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

C12H20N4O — CID 63953600

IUPAC3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1CCC(CCc2nnc3n2CCNC3)OC1
InChIInChI=1S/C12H20N4O/c1-2-8-17-10(3-1)4-5-11-14-15-12-9-13-6-7-16(11)12/h10,13H,1-9H2
InChIKeyIMKRQWLLCPJOOI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.88
Rot. Bonds3

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

3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 63953600) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID63953600
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1CCC(CCc2nnc3n2CCNC3)OC1
InChIInChI=1S/C12H20N4O/c1-2-8-17-10(3-1)4-5-11-14-15-12-9-13-6-7-16(11)12/h10,13H,1-9H2
InChIKeyIMKRQWLLCPJOOI-UHFFFAOYSA-N
XLogP0.88
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 62905533
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CID 62585373
CID 62585373
CID 62905534
CID 62905534
CID 63015106
CID 63015106
CID 63953601
CID 63953601
CID 64099672
CID 64099672
CID 64574762
CID 64574762
CID 64575451
CID 64575451
CID 64576658
CID 64576658
CID 65159796
CID 65159796

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 63953600) is 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 3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is C1CCC(CCc2nnc3n2CCNC3)OC1.
What is the InChIKey of 3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IMKRQWLLCPJOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-8-17-10(3-1)4-5-11-14-15-12-9-13-6-7-16(11)12/h10,13H,1-9H2.
What are the key properties of 3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 236.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 63953600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).