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

C15H19N5O2 — CID 97381548

IUPAC1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nnc2n1CCN(Cc1ccoc1)C2
InChIInChI=1S/C15H19N5O2/c21-15-2-1-4-19(15)10-14-17-16-13-9-18(5-6-20(13)14)8-12-3-7-22-11-12/h3,7,11H,1-2,4-6,8-10H2
InChIKeyWJAHLOACWNYXDK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.01
Rot. Bonds4

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

1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 97381548) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one
PubChem CID97381548
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nnc2n1CCN(Cc1ccoc1)C2
InChIInChI=1S/C15H19N5O2/c21-15-2-1-4-19(15)10-14-17-16-13-9-18(5-6-20(13)14)8-12-3-7-22-11-12/h3,7,11H,1-2,4-6,8-10H2
InChIKeyWJAHLOACWNYXDK-UHFFFAOYSA-N
XLogP1.01
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one (CID 97381548) is 1-[[7-(furan-3-ylmethyl)-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-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1nnc2n1CCN(Cc1ccoc1)C2.
What is the InChIKey of 1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is WJAHLOACWNYXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15-2-1-4-19(15)10-14-17-16-13-9-18(5-6-20(13)14)8-12-3-7-22-11-12/h3,7,11H,1-2,4-6,8-10H2.
What are the key properties of 1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one?
1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 301.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 97381548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).