7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine

C14H18ClN3 — CID 165476278

IUPAC7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cc(Cl)n2nc(C3CCC3)nc2c1
InChIInChI=1S/C14H18ClN3/c1-14(2,3)10-7-11(15)18-12(8-10)16-13(17-18)9-5-4-6-9/h7-9H,4-6H2,1-3H3
InChIKeyHKRMRMDLXTUSPD-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.95
Rot. Bonds1

About 7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine

7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165476278) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165476278
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cc(Cl)n2nc(C3CCC3)nc2c1
InChIInChI=1S/C14H18ClN3/c1-14(2,3)10-7-11(15)18-12(8-10)16-13(17-18)9-5-4-6-9/h7-9H,4-6H2,1-3H3
InChIKeyHKRMRMDLXTUSPD-UHFFFAOYSA-N
XLogP3.95
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine (CID 165476278) is 7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)c1cc(Cl)n2nc(C3CCC3)nc2c1.
What is the InChIKey of 7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HKRMRMDLXTUSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-14(2,3)10-7-11(15)18-12(8-10)16-13(17-18)9-5-4-6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine?
7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 263.77 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165476278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).