7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C17H22N4O — CID 51595642

IUPAC7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOc1cc2c(cc1CN1CCn3cnnc3C1)CCC2
InChIInChI=1S/C17H22N4O/c1-2-22-16-9-14-5-3-4-13(14)8-15(16)10-20-6-7-21-12-18-19-17(21)11-20/h8-9,12H,2-7,10-11H2,1H3
InChIKeyCUKLKZXGENWXDJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.18
Rot. Bonds4

About 7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 51595642) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID51595642
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOc1cc2c(cc1CN1CCn3cnnc3C1)CCC2
InChIInChI=1S/C17H22N4O/c1-2-22-16-9-14-5-3-4-13(14)8-15(16)10-20-6-7-21-12-18-19-17(21)11-20/h8-9,12H,2-7,10-11H2,1H3
InChIKeyCUKLKZXGENWXDJ-UHFFFAOYSA-N
XLogP2.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 51595642) is 7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCOc1cc2c(cc1CN1CCn3cnnc3C1)CCC2.
What is the InChIKey of 7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CUKLKZXGENWXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-22-16-9-14-5-3-4-13(14)8-15(16)10-20-6-7-21-12-18-19-17(21)11-20/h8-9,12H,2-7,10-11H2,1H3.
What are the key properties of 7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 298.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 51595642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).