2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C14H25N3 — CID 118178860

IUPAC2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1nc2n(n1)CCCC2C(C)(C)C
InChIInChI=1S/C14H25N3/c1-13(2,3)10-8-7-9-17-11(10)15-12(16-17)14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyGWHKJLHXQZYYAY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.50
Rot. Bonds

About 2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 118178860) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID118178860
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1nc2n(n1)CCCC2C(C)(C)C
InChIInChI=1S/C14H25N3/c1-13(2,3)10-8-7-9-17-11(10)15-12(16-17)14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyGWHKJLHXQZYYAY-UHFFFAOYSA-N
XLogP3.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 118178860) is 2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)c1nc2n(n1)CCCC2C(C)(C)C.
What is the InChIKey of 2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GWHKJLHXQZYYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2,3)10-8-7-9-17-11(10)15-12(16-17)14(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of 2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 235.37 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 118178860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).