2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H18N4O2 — CID 103142774

IUPAC2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC1CCC(Cn2nc3n(c2=O)CCNC3)O1
InChIInChI=1S/C11H18N4O2/c1-8-2-3-9(17-8)7-15-11(16)14-5-4-12-6-10(14)13-15/h8-9,12H,2-7H2,1H3
InChIKeyLSTBGDIQOBGVNX-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.28
Rot. Bonds2

About 2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 103142774) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID103142774
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC1CCC(Cn2nc3n(c2=O)CCNC3)O1
InChIInChI=1S/C11H18N4O2/c1-8-2-3-9(17-8)7-15-11(16)14-5-4-12-6-10(14)13-15/h8-9,12H,2-7H2,1H3
InChIKeyLSTBGDIQOBGVNX-UHFFFAOYSA-N
XLogP-0.28
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-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 2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 103142774) is 2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC1CCC(Cn2nc3n(c2=O)CCNC3)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is LSTBGDIQOBGVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-2-3-9(17-8)7-15-11(16)14-5-4-12-6-10(14)13-15/h8-9,12H,2-7H2,1H3.
What are the key properties of 2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 238.29 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 103142774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).