6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C14H19N3O2 — CID 165470725

IUPAC6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCc1c(C)cc2nc(C3CCOCC3)[nH]n2c1=O
InChIInChI=1S/C14H19N3O2/c1-3-11-9(2)8-12-15-13(16-17(12)14(11)18)10-4-6-19-7-5-10/h8,10H,3-7H2,1-2H3,(H,15,16)
InChIKeyJSVVLAGSXRIQCZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.79
Rot. Bonds2

About 6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 165470725) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID165470725
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCc1c(C)cc2nc(C3CCOCC3)[nH]n2c1=O
InChIInChI=1S/C14H19N3O2/c1-3-11-9(2)8-12-15-13(16-17(12)14(11)18)10-4-6-19-7-5-10/h8,10H,3-7H2,1-2H3,(H,15,16)
InChIKeyJSVVLAGSXRIQCZ-UHFFFAOYSA-N
XLogP1.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-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 6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 165470725) is 6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CCc1c(C)cc2nc(C3CCOCC3)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is JSVVLAGSXRIQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-11-9(2)8-12-15-13(16-17(12)14(11)18)10-4-6-19-7-5-10/h8,10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 261.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165470725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).