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

C11H16N6O — CID 62794225

IUPAC5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCC1CCC(c2noc(-c3nc(N)n[nH]3)n2)CC1
InChIInChI=1S/C11H16N6O/c1-6-2-4-7(5-3-6)8-13-10(18-17-8)9-14-11(12)16-15-9/h6-7H,2-5H2,1H3,(H3,12,14,15,16)
InChIKeyLMGXZNZEVKQEJA-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.73
Rot. Bonds2

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

5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 62794225) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID62794225
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCC1CCC(c2noc(-c3nc(N)n[nH]3)n2)CC1
InChIInChI=1S/C11H16N6O/c1-6-2-4-7(5-3-6)8-13-10(18-17-8)9-14-11(12)16-15-9/h6-7H,2-5H2,1H3,(H3,12,14,15,16)
InChIKeyLMGXZNZEVKQEJA-UHFFFAOYSA-N
XLogP1.73
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 62794225) is 5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(4-methylcyclohexyl)-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-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is LMGXZNZEVKQEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-6-2-4-7(5-3-6)8-13-10(18-17-8)9-14-11(12)16-15-9/h6-7H,2-5H2,1H3,(H3,12,14,15,16).
What are the key properties of 5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 248.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62794225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).