2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

C14H19N5 — CID 82566055

IUPAC2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C2=NCCN2)c2nc(C(C)(C)C)nn12
InChIInChI=1S/C14H19N5/c1-9-5-6-10(11-15-7-8-16-11)12-17-13(14(2,3)4)18-19(9)12/h5-6H,7-8H2,1-4H3,(H,15,16)
InChIKeyHROAQOWWMQJIDW-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.69
Rot. Bonds1

About 2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566055) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566055
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C2=NCCN2)c2nc(C(C)(C)C)nn12
InChIInChI=1S/C14H19N5/c1-9-5-6-10(11-15-7-8-16-11)12-17-13(14(2,3)4)18-19(9)12/h5-6H,7-8H2,1-4H3,(H,15,16)
InChIKeyHROAQOWWMQJIDW-UHFFFAOYSA-N
XLogP1.69
TPSA54.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 82566055) is 2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(C2=NCCN2)c2nc(C(C)(C)C)nn12.
What is the InChIKey of 2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HROAQOWWMQJIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9-5-6-10(11-15-7-8-16-11)12-17-13(14(2,3)4)18-19(9)12/h5-6H,7-8H2,1-4H3,(H,15,16).
What are the key properties of 2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 257.34 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).