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

C16H22N4O — CID 102791803

IUPAC3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C1NCCn2c(CCOc3ccccc3)nnc21
InChIInChI=1S/C16H22N4O/c1-12(2)15-16-19-18-14(20(16)10-9-17-15)8-11-21-13-6-4-3-5-7-13/h3-7,12,15,17H,8-11H2,1-2H3
InChIKeyILKPDZIHZBUWPY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.20
Rot. Bonds5

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

3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791803) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791803
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C1NCCn2c(CCOc3ccccc3)nnc21
InChIInChI=1S/C16H22N4O/c1-12(2)15-16-19-18-14(20(16)10-9-17-15)8-11-21-13-6-4-3-5-7-13/h3-7,12,15,17H,8-11H2,1-2H3
InChIKeyILKPDZIHZBUWPY-UHFFFAOYSA-N
XLogP2.20
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791803) is 3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)C1NCCn2c(CCOc3ccccc3)nnc21.
What is the InChIKey of 3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ILKPDZIHZBUWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)15-16-19-18-14(20(16)10-9-17-15)8-11-21-13-6-4-3-5-7-13/h3-7,12,15,17H,8-11H2,1-2H3.
What are the key properties of 3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 286.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).