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

C15H15N7O — CID 166217437

IUPAC7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1nc(-c2ccncc2)cc(N2CCn3c(n[nH]c3=O)C2)n1
InChIInChI=1S/C15H15N7O/c1-10-17-12(11-2-4-16-5-3-11)8-13(18-10)21-6-7-22-14(9-21)19-20-15(22)23/h2-5,8H,6-7,9H2,1H3,(H,20,23)
InChIKeySOKNJGCDDPNNEF-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.75
Rot. Bonds2

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

7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 166217437) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID166217437
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1nc(-c2ccncc2)cc(N2CCn3c(n[nH]c3=O)C2)n1
InChIInChI=1S/C15H15N7O/c1-10-17-12(11-2-4-16-5-3-11)8-13(18-10)21-6-7-22-14(9-21)19-20-15(22)23/h2-5,8H,6-7,9H2,1H3,(H,20,23)
InChIKeySOKNJGCDDPNNEF-UHFFFAOYSA-N
XLogP0.75
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-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 7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 166217437) is 7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1nc(-c2ccncc2)cc(N2CCn3c(n[nH]c3=O)C2)n1.
What is the InChIKey of 7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is SOKNJGCDDPNNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c1-10-17-12(11-2-4-16-5-3-11)8-13(18-10)21-6-7-22-14(9-21)19-20-15(22)23/h2-5,8H,6-7,9H2,1H3,(H,20,23).
What are the key properties of 7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 309.33 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 166217437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).