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

C8H10N6O — CID 64982324

IUPAC5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C3CCC3)no2)n1
InChIInChI=1S/C8H10N6O/c9-8-11-6(12-13-8)7-10-5(14-15-7)4-2-1-3-4/h4H,1-3H2,(H3,9,11,12,13)
InChIKeyZZMRTOPDZYNZDS-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.70
Rot. Bonds2

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

5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 64982324) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
PubChem CID64982324
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C3CCC3)no2)n1
InChIInChI=1S/C8H10N6O/c9-8-11-6(12-13-8)7-10-5(14-15-7)4-2-1-3-4/h4H,1-3H2,(H3,9,11,12,13)
InChIKeyZZMRTOPDZYNZDS-UHFFFAOYSA-N
XLogP0.70
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (CID 64982324) is 5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2nc(C3CCC3)no2)n1.
What is the InChIKey of 5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is ZZMRTOPDZYNZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c9-8-11-6(12-13-8)7-10-5(14-15-7)4-2-1-3-4/h4H,1-3H2,(H3,9,11,12,13).
What are the key properties of 5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 206.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 64982324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).