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

C15H20N4O — CID 102791572

IUPAC8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c1nnc2C(OC)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-12-14-17-18-15(19(14)10-9-16-12)13(20-2)11-7-5-4-6-8-11/h4-8,12-13,16H,3,9-10H2,1-2H3
InChIKeyCJZUPZQOFDROCZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds4

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

8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791572) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791572
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c1nnc2C(OC)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-12-14-17-18-15(19(14)10-9-16-12)13(20-2)11-7-5-4-6-8-11/h4-8,12-13,16H,3,9-10H2,1-2H3
InChIKeyCJZUPZQOFDROCZ-UHFFFAOYSA-N
XLogP2.07
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791572) is 8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC1NCCn2c1nnc2C(OC)c1ccccc1.
What is the InChIKey of 8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CJZUPZQOFDROCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-12-14-17-18-15(19(14)10-9-16-12)13(20-2)11-7-5-4-6-8-11/h4-8,12-13,16H,3,9-10H2,1-2H3.
What are the key properties of 8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 272.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).