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

C10H17N3 — CID 58548803

IUPAC2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1nc2n(n1)CCCC2
InChIInChI=1S/C10H17N3/c1-10(2,3)9-11-8-6-4-5-7-13(8)12-9/h4-7H2,1-3H3
InChIKeyVAOZUPWBSGIGPP-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.91
Rot. Bonds

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

2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 58548803) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID58548803
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1nc2n(n1)CCCC2
InChIInChI=1S/C10H17N3/c1-10(2,3)9-11-8-6-4-5-7-13(8)12-9/h4-7H2,1-3H3
InChIKeyVAOZUPWBSGIGPP-UHFFFAOYSA-N
XLogP1.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 58548803) is 2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)c1nc2n(n1)CCCC2.
What is the InChIKey of 2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VAOZUPWBSGIGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)9-11-8-6-4-5-7-13(8)12-9/h4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 179.27 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 58548803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).