3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C19H21N5O — CID 136561466

IUPAC3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(Cc2nnc3n2CCN(CCOc2ccccn2)C3)cc1
InChIInChI=1S/C19H21N5O/c1-2-6-16(7-3-1)14-17-21-22-18-15-23(10-11-24(17)18)12-13-25-19-8-4-5-9-20-19/h1-9H,10-15H2
InChIKeyKCSBDGMAEMPISQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.16
Rot. Bonds6

About 3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 136561466) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID136561466
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(Cc2nnc3n2CCN(CCOc2ccccn2)C3)cc1
InChIInChI=1S/C19H21N5O/c1-2-6-16(7-3-1)14-17-21-22-18-15-23(10-11-24(17)18)12-13-25-19-8-4-5-9-20-19/h1-9H,10-15H2
InChIKeyKCSBDGMAEMPISQ-UHFFFAOYSA-N
XLogP2.16
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 136561466) is 3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1ccc(Cc2nnc3n2CCN(CCOc2ccccn2)C3)cc1.
What is the InChIKey of 3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KCSBDGMAEMPISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-6-16(7-3-1)14-17-21-22-18-15-23(10-11-24(17)18)12-13-25-19-8-4-5-9-20-19/h1-9H,10-15H2.
What are the key properties of 3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 335.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 136561466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).