(5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

C19H24N4O2 — CID 163308249

IUPAC(5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCOCCN1Cc2nnc(C3CCC3)n2[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C19H24N4O2/c1-25-11-10-22-13-17-20-21-18(15-8-5-9-15)23(17)16(19(22)24)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3/t16-/m1/s1
InChIKeyBVNZHQJGXBQSNJ-MRXNPFEDSA-N
MW340.43 g/mol
LogP2.32
Rot. Bonds6

About (5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

(5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163308249) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163308249
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCOCCN1Cc2nnc(C3CCC3)n2[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C19H24N4O2/c1-25-11-10-22-13-17-20-21-18(15-8-5-9-15)23(17)16(19(22)24)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3/t16-/m1/s1
InChIKeyBVNZHQJGXBQSNJ-MRXNPFEDSA-N
XLogP2.32
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163308249) is (5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is COCCN1Cc2nnc(C3CCC3)n2[C@H](Cc2ccccc2)C1=O.
What is the InChIKey of (5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is BVNZHQJGXBQSNJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-11-10-22-13-17-20-21-18(15-8-5-9-15)23(17)16(19(22)24)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 340.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163308249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).