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

C12H20N4O — CID 103166419

IUPAC3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC1CC(Cc2nnc3n2CCNC3)C1
InChIInChI=1S/C12H20N4O/c1-2-17-10-5-9(6-10)7-11-14-15-12-8-13-3-4-16(11)12/h9-10,13H,2-8H2,1H3
InChIKeyVGDGSDAAEODBHL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.74
Rot. Bonds4

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

3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103166419) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID103166419
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC1CC(Cc2nnc3n2CCNC3)C1
InChIInChI=1S/C12H20N4O/c1-2-17-10-5-9(6-10)7-11-14-15-12-8-13-3-4-16(11)12/h9-10,13H,2-8H2,1H3
InChIKeyVGDGSDAAEODBHL-UHFFFAOYSA-N
XLogP0.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 103166419) is 3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCOC1CC(Cc2nnc3n2CCNC3)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VGDGSDAAEODBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-17-10-5-9(6-10)7-11-14-15-12-8-13-3-4-16(11)12/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 236.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103166419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).