5-cyclooctyl-1H-1,2,4-triazole

C10H17N3 — CID 19067894

IUPAC5-cyclooctyl-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCCCCC2)n1
InChIInChI=1S/C10H17N3/c1-2-4-6-9(7-5-3-1)10-11-8-12-13-10/h8-9H,1-7H2,(H,11,12,13)
InChIKeyZRJGBNUUPIUKQV-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.63
Rot. Bonds1

About 5-cyclooctyl-1H-1,2,4-triazole

5-cyclooctyl-1H-1,2,4-triazole (PubChem CID 19067894) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-cyclooctyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclooctyl-1H-1,2,4-triazole
PubChem CID19067894
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-cyclooctyl-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCCCCC2)n1
InChIInChI=1S/C10H17N3/c1-2-4-6-9(7-5-3-1)10-11-8-12-13-10/h8-9H,1-7H2,(H,11,12,13)
InChIKeyZRJGBNUUPIUKQV-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclooctyl-1H-1,2,4-triazole?
The IUPAC name of 5-cyclooctyl-1H-1,2,4-triazole (CID 19067894) is 5-cyclooctyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclooctyl-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclooctyl-1H-1,2,4-triazole is c1n[nH]c(C2CCCCCCC2)n1.
What is the InChIKey of 5-cyclooctyl-1H-1,2,4-triazole?
The InChIKey is ZRJGBNUUPIUKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-4-6-9(7-5-3-1)10-11-8-12-13-10/h8-9H,1-7H2,(H,11,12,13).
What are the key properties of 5-cyclooctyl-1H-1,2,4-triazole?
5-cyclooctyl-1H-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclooctyl-1H-1,2,4-triazole is sourced from PubChem (CID 19067894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).