1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one

C13H19N5O3 — CID 97405763

IUPAC1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one
SMILESCOCC(=O)N1CCn2c(CN3CCCC3=O)nnc2C1
InChIInChI=1S/C13H19N5O3/c1-21-9-13(20)17-5-6-18-10(14-15-11(18)8-17)7-16-4-2-3-12(16)19/h2-9H2,1H3
InChIKeyZKXKEHPFRHCFSM-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.61
Rot. Bonds4

About 1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one

1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 97405763) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one
PubChem CID97405763
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one
SMILESCOCC(=O)N1CCn2c(CN3CCCC3=O)nnc2C1
InChIInChI=1S/C13H19N5O3/c1-21-9-13(20)17-5-6-18-10(14-15-11(18)8-17)7-16-4-2-3-12(16)19/h2-9H2,1H3
InChIKeyZKXKEHPFRHCFSM-UHFFFAOYSA-N
XLogP-0.61
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one (CID 97405763) is 1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one is COCC(=O)N1CCn2c(CN3CCCC3=O)nnc2C1.
What is the InChIKey of 1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is ZKXKEHPFRHCFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-21-9-13(20)17-5-6-18-10(14-15-11(18)8-17)7-16-4-2-3-12(16)19/h2-9H2,1H3.
What are the key properties of 1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one?
1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 293.33 g/mol, XLogP of -0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(2-methoxyacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 97405763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).