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

C11H12N8O — CID 127872647

IUPAC7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1cc(N2CCn3c(n[nH]c3=O)C2)n2ncnc2n1
InChIInChI=1S/C11H12N8O/c1-7-4-9(19-10(14-7)12-6-13-19)17-2-3-18-8(5-17)15-16-11(18)20/h4,6H,2-3,5H2,1H3,(H,16,20)
InChIKeyAOLXCOWTIJPGBG-UHFFFAOYSA-N
MW272.27 g/mol
LogP-0.66
Rot. Bonds1

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

7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 127872647) has the molecular formula C11H12N8O and a molecular weight of 272.27 g/mol. Its IUPAC name is 7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID127872647
Molecular FormulaC11H12N8O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1cc(N2CCn3c(n[nH]c3=O)C2)n2ncnc2n1
InChIInChI=1S/C11H12N8O/c1-7-4-9(19-10(14-7)12-6-13-19)17-2-3-18-8(5-17)15-16-11(18)20/h4,6H,2-3,5H2,1H3,(H,16,20)
InChIKeyAOLXCOWTIJPGBG-UHFFFAOYSA-N
XLogP-0.66
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 127872647) is 7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1cc(N2CCn3c(n[nH]c3=O)C2)n2ncnc2n1.
What is the InChIKey of 7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is AOLXCOWTIJPGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8O/c1-7-4-9(19-10(14-7)12-6-13-19)17-2-3-18-8(5-17)15-16-11(18)20/h4,6H,2-3,5H2,1H3,(H,16,20).
What are the key properties of 7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 272.27 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 127872647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).