3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine

C11H15N3O — CID 117145572

IUPAC3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(C(C)(C)C)nnc12
InChIInChI=1S/C11H15N3O/c1-11(2,3)10-13-12-9-8(15-4)6-5-7-14(9)10/h5-7H,1-4H3
InChIKeyQFPFLQBUBJAWPT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.04
Rot. Bonds1

About 3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine

3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117145572) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117145572
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(C(C)(C)C)nnc12
InChIInChI=1S/C11H15N3O/c1-11(2,3)10-13-12-9-8(15-4)6-5-7-14(9)10/h5-7H,1-4H3
InChIKeyQFPFLQBUBJAWPT-UHFFFAOYSA-N
XLogP2.04
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine (CID 117145572) is 3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine is COc1cccn2c(C(C)(C)C)nnc12.
What is the InChIKey of 3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QFPFLQBUBJAWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2,3)10-13-12-9-8(15-4)6-5-7-14(9)10/h5-7H,1-4H3.
What are the key properties of 3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 205.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117145572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).