5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine

C8H12N6O — CID 62794222

IUPAC5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)c1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C8H12N6O/c1-8(2,3)6-11-5(15-14-6)4-10-7(9)13-12-4/h1-3H3,(H3,9,10,12,13)
InChIKeyLYYIXJMYYLKAGG-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.73
Rot. Bonds1

About 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine

5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 62794222) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
PubChem CID62794222
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)c1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C8H12N6O/c1-8(2,3)6-11-5(15-14-6)4-10-7(9)13-12-4/h1-3H3,(H3,9,10,12,13)
InChIKeyLYYIXJMYYLKAGG-UHFFFAOYSA-N
XLogP0.73
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (CID 62794222) is 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is CC(C)(C)c1noc(-c2nc(N)n[nH]2)n1.
What is the InChIKey of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is LYYIXJMYYLKAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-8(2,3)6-11-5(15-14-6)4-10-7(9)13-12-4/h1-3H3,(H3,9,10,12,13).
What are the key properties of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 208.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62794222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).