3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine

C11H14N4 — CID 146480117

IUPAC3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine
SMILESCC(C)(C)c1cncc(-n2cnnc2)c1
InChIInChI=1S/C11H14N4/c1-11(2,3)9-4-10(6-12-5-9)15-7-13-14-8-15/h4-8H,1-3H3
InChIKeyCYGLABILBXGKLI-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.96
Rot. Bonds1

About 3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine

3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine (PubChem CID 146480117) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine
PubChem CID146480117
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine
SMILESCC(C)(C)c1cncc(-n2cnnc2)c1
InChIInChI=1S/C11H14N4/c1-11(2,3)9-4-10(6-12-5-9)15-7-13-14-8-15/h4-8H,1-3H3
InChIKeyCYGLABILBXGKLI-UHFFFAOYSA-N
XLogP1.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine (CID 146480117) is 3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine is CC(C)(C)c1cncc(-n2cnnc2)c1.
What is the InChIKey of 3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is CYGLABILBXGKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-11(2,3)9-4-10(6-12-5-9)15-7-13-14-8-15/h4-8H,1-3H3.
What are the key properties of 3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine?
3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 202.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 146480117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).