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

C12H16N4 — CID 89458594

IUPAC5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCc1cc(-n2cnnc2)ncc1C(C)(C)C
InChIInChI=1S/C12H16N4/c1-9-5-11(16-7-14-15-8-16)13-6-10(9)12(2,3)4/h5-8H,1-4H3
InChIKeyVCQCPCFIOICDAX-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.27
Rot. Bonds1

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

5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine (PubChem CID 89458594) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine
PubChem CID89458594
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCc1cc(-n2cnnc2)ncc1C(C)(C)C
InChIInChI=1S/C12H16N4/c1-9-5-11(16-7-14-15-8-16)13-6-10(9)12(2,3)4/h5-8H,1-4H3
InChIKeyVCQCPCFIOICDAX-UHFFFAOYSA-N
XLogP2.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine (CID 89458594) is 5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine is Cc1cc(-n2cnnc2)ncc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is VCQCPCFIOICDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-5-11(16-7-14-15-8-16)13-6-10(9)12(2,3)4/h5-8H,1-4H3.
What are the key properties of 5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine?
5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 216.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 89458594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).