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

C15H20N4 — CID 102791606

IUPAC8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(CCc3ccccc3)nnc21
InChIInChI=1S/C15H20N4/c1-2-13-15-18-17-14(19(15)11-10-16-13)9-8-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3
InChIKeyGAQZEWBQUGLVQH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds4

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

8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791606) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791606
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(CCc3ccccc3)nnc21
InChIInChI=1S/C15H20N4/c1-2-13-15-18-17-14(19(15)11-10-16-13)9-8-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3
InChIKeyGAQZEWBQUGLVQH-UHFFFAOYSA-N
XLogP2.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791606) is 8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC1NCCn2c(CCc3ccccc3)nnc21.
What is the InChIKey of 8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GAQZEWBQUGLVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-13-15-18-17-14(19(15)11-10-16-13)9-8-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3.
What are the key properties of 8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 256.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).