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

C11H10N6O — CID 62793211

IUPAC5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2noc(-c3nc(N)n[nH]3)n2)cc1
InChIInChI=1S/C11H10N6O/c1-6-2-4-7(5-3-6)8-13-10(18-17-8)9-14-11(12)16-15-9/h2-5H,1H3,(H3,12,14,15,16)
InChIKeyGOJQBEIIXLDUOO-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.41
Rot. Bonds2

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

5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 62793211) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID62793211
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2noc(-c3nc(N)n[nH]3)n2)cc1
InChIInChI=1S/C11H10N6O/c1-6-2-4-7(5-3-6)8-13-10(18-17-8)9-14-11(12)16-15-9/h2-5H,1H3,(H3,12,14,15,16)
InChIKeyGOJQBEIIXLDUOO-UHFFFAOYSA-N
XLogP1.41
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 62793211) is 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is Cc1ccc(-c2noc(-c3nc(N)n[nH]3)n2)cc1.
What is the InChIKey of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is GOJQBEIIXLDUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-6-2-4-7(5-3-6)8-13-10(18-17-8)9-14-11(12)16-15-9/h2-5H,1H3,(H3,12,14,15,16).
What are the key properties of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 242.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62793211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).