3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine

C13H19N3 — CID 90305870

IUPAC3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCc1cccc2nnc(C(C)(C)C)n12
InChIInChI=1S/C13H19N3/c1-5-7-10-8-6-9-11-14-15-12(16(10)11)13(2,3)4/h6,8-9H,5,7H2,1-4H3
InChIKeyYPQPLEUGOCPWTO-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.98
Rot. Bonds2

About 3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine

3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 90305870) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID90305870
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCc1cccc2nnc(C(C)(C)C)n12
InChIInChI=1S/C13H19N3/c1-5-7-10-8-6-9-11-14-15-12(16(10)11)13(2,3)4/h6,8-9H,5,7H2,1-4H3
InChIKeyYPQPLEUGOCPWTO-UHFFFAOYSA-N
XLogP2.98
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine (CID 90305870) is 3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine is CCCc1cccc2nnc(C(C)(C)C)n12.
What is the InChIKey of 3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YPQPLEUGOCPWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-7-10-8-6-9-11-14-15-12(16(10)11)13(2,3)4/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine?
3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 217.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-propyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 90305870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).