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

C11H14N6O — CID 157012270

IUPAC7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCN1CCn2c(nnc2-c2cc(C)[nH]n2)C1=O
InChIInChI=1S/C11H14N6O/c1-3-16-4-5-17-9(8-6-7(2)12-13-8)14-15-10(17)11(16)18/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyAGDDGSVSTMWCIG-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.45
Rot. Bonds2

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

7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 157012270) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID157012270
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCN1CCn2c(nnc2-c2cc(C)[nH]n2)C1=O
InChIInChI=1S/C11H14N6O/c1-3-16-4-5-17-9(8-6-7(2)12-13-8)14-15-10(17)11(16)18/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyAGDDGSVSTMWCIG-UHFFFAOYSA-N
XLogP0.45
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 157012270) is 7-ethyl-3-(5-methyl-1H-pyrazol-3-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-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCN1CCn2c(nnc2-c2cc(C)[nH]n2)C1=O.
What is the InChIKey of 7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is AGDDGSVSTMWCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-3-16-4-5-17-9(8-6-7(2)12-13-8)14-15-10(17)11(16)18/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 246.27 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 157012270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).