3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

C11H19N3O — CID 136559766

IUPAC3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOCc1nnc2n1CC(C)(C)CC2
InChIInChI=1S/C11H19N3O/c1-4-15-7-10-13-12-9-5-6-11(2,3)8-14(9)10/h4-8H2,1-3H3
InChIKeyLPFFVDKXJXJOII-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.79
Rot. Bonds3

About 3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 136559766) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID136559766
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOCc1nnc2n1CC(C)(C)CC2
InChIInChI=1S/C11H19N3O/c1-4-15-7-10-13-12-9-5-6-11(2,3)8-14(9)10/h4-8H2,1-3H3
InChIKeyLPFFVDKXJXJOII-UHFFFAOYSA-N
XLogP1.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 136551584
6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559822
3-[(1S)-1-(2-methoxyethoxy)ethyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 164631363
3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 164633944
6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 164633989
2-[[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine
CID 81251122
3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 58784021
3,8,8-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 59299798
3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 59299813
3-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 59539722
3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 67622783
3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 89019139

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 136559766) is 3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is CCOCc1nnc2n1CC(C)(C)CC2.
What is the InChIKey of 3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LPFFVDKXJXJOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-15-7-10-13-12-9-5-6-11(2,3)8-14(9)10/h4-8H2,1-3H3.
What are the key properties of 3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 209.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 136559766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).