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

C13H17N3O — CID 117132162

IUPAC5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(CC3CCCCO3)nn12
InChIInChI=1S/C13H17N3O/c1-10-5-4-7-13-14-12(15-16(10)13)9-11-6-2-3-8-17-11/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyIATGSKIEXARXFQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.15
Rot. Bonds2

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

5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117132162) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117132162
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(CC3CCCCO3)nn12
InChIInChI=1S/C13H17N3O/c1-10-5-4-7-13-14-12(15-16(10)13)9-11-6-2-3-8-17-11/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyIATGSKIEXARXFQ-UHFFFAOYSA-N
XLogP2.15
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117132162) is 5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc2nc(CC3CCCCO3)nn12.
What is the InChIKey of 5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IATGSKIEXARXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-5-4-7-13-14-12(15-16(10)13)9-11-6-2-3-8-17-11/h4-5,7,11H,2-3,6,8-9H2,1H3.
What are the key properties of 5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 231.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117132162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).