2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine

C12H17N3O — CID 117130642

IUPAC2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc2nc(CC(C)(C)C)nn2c1
InChIInChI=1S/C12H17N3O/c1-12(2,3)7-10-13-11-6-5-9(16-4)8-15(11)14-10/h5-6,8H,7H2,1-4H3
InChIKeyQWAPNUIMDZGMCR-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.33
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine

2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117130642) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117130642
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc2nc(CC(C)(C)C)nn2c1
InChIInChI=1S/C12H17N3O/c1-12(2,3)7-10-13-11-6-5-9(16-4)8-15(11)14-10/h5-6,8H,7H2,1-4H3
InChIKeyQWAPNUIMDZGMCR-UHFFFAOYSA-N
XLogP2.33
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 117130642) is 2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc2nc(CC(C)(C)C)nn2c1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QWAPNUIMDZGMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,3)7-10-13-11-6-5-9(16-4)8-15(11)14-10/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 219.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117130642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).