6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C12H15N3O — CID 117139128

IUPAC6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(C3CCCCO3)n2c1
InChIInChI=1S/C12H15N3O/c1-9-5-6-11-13-14-12(15(11)8-9)10-4-2-3-7-16-10/h5-6,8,10H,2-4,7H2,1H3
InChIKeyVLOQUAYLTUKASC-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.28
Rot. Bonds1

About 6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139128) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139128
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(C3CCCCO3)n2c1
InChIInChI=1S/C12H15N3O/c1-9-5-6-11-13-14-12(15(11)8-9)10-4-2-3-7-16-10/h5-6,8,10H,2-4,7H2,1H3
InChIKeyVLOQUAYLTUKASC-UHFFFAOYSA-N
XLogP2.28
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139131
6-bromo-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139057
6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138783
6-methyl-3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138815
6-methyl-3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138746
3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride
CID 165431539
3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145049
7-methyl-2-(oxan-2-yl)imidazo[1,2-a]pyridine
CID 117134276
8-methyl-3-(oxan-2-yl)imidazo[1,5-a]pyridine
CID 117146548
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine
CID 65349519
1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
CID 83893649
6-bromo-2-(oxan-2-yl)imidazo[1,2-a]pyridine
CID 117129640

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117139128) is 6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc2nnc(C3CCCCO3)n2c1.
What is the InChIKey of 6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VLOQUAYLTUKASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-5-6-11-13-14-12(15(11)8-9)10-4-2-3-7-16-10/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of 6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 217.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).