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

C11H16N6O — CID 65392279

IUPAC5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C3CCCCCC3)no2)n1
InChIInChI=1S/C11H16N6O/c12-11-14-9(15-16-11)10-13-8(17-18-10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H3,12,14,15,16)
InChIKeyHUVBTNIRIZXVKC-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.87
Rot. Bonds2

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

5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 65392279) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
PubChem CID65392279
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C3CCCCCC3)no2)n1
InChIInChI=1S/C11H16N6O/c12-11-14-9(15-16-11)10-13-8(17-18-10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H3,12,14,15,16)
InChIKeyHUVBTNIRIZXVKC-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[8-(chloromethyl)decan-3-yl]cyclononyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 129092245
3-cyclooctyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 139453513
5-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 55115439
5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 62793036
5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62793552
5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62793555
5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 62793718
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 62794220
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 62794221
5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62794225
5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62795886
5-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 63717571

Frequently Asked Questions

What is the IUPAC name of 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (CID 65392279) is 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2nc(C3CCCCCC3)no2)n1.
What is the InChIKey of 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is HUVBTNIRIZXVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-11-14-9(15-16-11)10-13-8(17-18-10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H3,12,14,15,16).
What are the key properties of 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 248.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 65392279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).