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

C10H14N6O — CID 62794220

IUPAC5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C3CCCCC3)no2)n1
InChIInChI=1S/C10H14N6O/c11-10-13-8(14-15-10)9-12-7(16-17-9)6-4-2-1-3-5-6/h6H,1-5H2,(H3,11,13,14,15)
InChIKeyQKTACWVODIOKST-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.48
Rot. Bonds2

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

5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 62794220) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
PubChem CID62794220
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C3CCCCC3)no2)n1
InChIInChI=1S/C10H14N6O/c11-10-13-8(14-15-10)9-12-7(16-17-9)6-4-2-1-3-5-6/h6H,1-5H2,(H3,11,13,14,15)
InChIKeyQKTACWVODIOKST-UHFFFAOYSA-N
XLogP1.48
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (CID 62794220) is 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2nc(C3CCCCC3)no2)n1.
What is the InChIKey of 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is QKTACWVODIOKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c11-10-13-8(14-15-10)9-12-7(16-17-9)6-4-2-1-3-5-6/h6H,1-5H2,(H3,11,13,14,15).
What are the key properties of 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 234.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62794220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).