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

C10H17N3 — CID 153319599

IUPAC5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)C1CCCc2ncnn21
InChIInChI=1S/C10H17N3/c1-10(2,3)8-5-4-6-9-11-7-12-13(8)9/h7-8H,4-6H2,1-3H3
InChIKeyIDBRWPLLBJXLGG-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.20
Rot. Bonds

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

5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 153319599) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID153319599
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)C1CCCc2ncnn21
InChIInChI=1S/C10H17N3/c1-10(2,3)8-5-4-6-9-11-7-12-13(8)9/h7-8H,4-6H2,1-3H3
InChIKeyIDBRWPLLBJXLGG-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-Di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 58109994
2,5-Di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 58110010
2-Tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 58548803
2,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
CID 59299729
7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 59486418
8-Methyl-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66634556
2,8-Dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 67615898
2,3,5-Triazatricyclo[5.2.2.02,6]undeca-3,5-diene
CID 70227307
7-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 70570356
7,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
CID 70583149
8-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567492
2-Ethyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567495

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 153319599) is 5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)C1CCCc2ncnn21.
What is the InChIKey of 5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IDBRWPLLBJXLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)8-5-4-6-9-11-7-12-13(8)9/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
5-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 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 153319599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).