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

C11H13N5O2 — CID 157017387

IUPAC7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCN1CCn2c(nnc2-c2ncoc2C)C1=O
InChIInChI=1S/C11H13N5O2/c1-3-15-4-5-16-9(8-7(2)18-6-12-8)13-14-10(16)11(15)17/h6H,3-5H2,1-2H3
InChIKeySHPIQTXABWLIPK-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.72
Rot. Bonds2

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

7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 157017387) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID157017387
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCN1CCn2c(nnc2-c2ncoc2C)C1=O
InChIInChI=1S/C11H13N5O2/c1-3-15-4-5-16-9(8-7(2)18-6-12-8)13-14-10(16)11(15)17/h6H,3-5H2,1-2H3
InChIKeySHPIQTXABWLIPK-UHFFFAOYSA-N
XLogP0.72
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 157017387) is 7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCN1CCn2c(nnc2-c2ncoc2C)C1=O.
What is the InChIKey of 7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is SHPIQTXABWLIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-15-4-5-16-9(8-7(2)18-6-12-8)13-14-10(16)11(15)17/h6H,3-5H2,1-2H3.
What are the key properties of 7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 247.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 157017387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).