8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C13H21N3O — CID 117157737

IUPAC8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCCn2nc(CC3CCOCC3)nc21
InChIInChI=1S/C13H21N3O/c1-10-3-2-6-16-13(10)14-12(15-16)9-11-4-7-17-8-5-11/h10-11H,2-9H2,1H3
InChIKeyHWRZIGJBWWBJOX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds2

About 8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117157737) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117157737
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCCn2nc(CC3CCOCC3)nc21
InChIInChI=1S/C13H21N3O/c1-10-3-2-6-16-13(10)14-12(15-16)9-11-4-7-17-8-5-11/h10-11H,2-9H2,1H3
InChIKeyHWRZIGJBWWBJOX-UHFFFAOYSA-N
XLogP2.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-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

8-methyl-2-(thian-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157749
7-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117156529
8-methyl-2-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157979
8-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157615
8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117158127
3-[(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
CID 117158112
[2-[(1-ethylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
CID 117157361
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117157904
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117157947
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157161
2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117157732
8-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157636

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 117157737) is 8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC1CCCn2nc(CC3CCOCC3)nc21.
What is the InChIKey of 8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HWRZIGJBWWBJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-3-2-6-16-13(10)14-12(15-16)9-11-4-7-17-8-5-11/h10-11H,2-9H2,1H3.
What are the key properties of 8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 235.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117157737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).