5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

C8H12N6O — CID 62793552

IUPAC5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCC(C)Cc1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C8H12N6O/c1-4(2)3-5-10-7(15-14-5)6-11-8(9)13-12-6/h4H,3H2,1-2H3,(H3,9,11,12,13)
InChIKeyAVMOMJHDJYGTLF-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.64
Rot. Bonds3

About 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 62793552) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID62793552
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCC(C)Cc1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C8H12N6O/c1-4(2)3-5-10-7(15-14-5)6-11-8(9)13-12-6/h4H,3H2,1-2H3,(H3,9,11,12,13)
InChIKeyAVMOMJHDJYGTLF-UHFFFAOYSA-N
XLogP0.64
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine 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 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 62793552) is 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is CC(C)Cc1noc(-c2nc(N)n[nH]2)n1.
What is the InChIKey of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is AVMOMJHDJYGTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-4(2)3-5-10-7(15-14-5)6-11-8(9)13-12-6/h4H,3H2,1-2H3,(H3,9,11,12,13).
What are the key properties of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 208.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62793552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).