1-cyclooctyl-1,2,4-triazolidine

C10H21N3 — CID 135257321

IUPAC1-cyclooctyl-1,2,4-triazolidine
SMILESC1CCCC(N2CNCN2)CCC1
InChIInChI=1S/C10H21N3/c1-2-4-6-10(7-5-3-1)13-9-11-8-12-13/h10-12H,1-9H2
InChIKeyJSRYMFMZZCPYSJ-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.42
Rot. Bonds1

About 1-cyclooctyl-1,2,4-triazolidine

1-cyclooctyl-1,2,4-triazolidine (PubChem CID 135257321) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-cyclooctyl-1,2,4-triazolidine.

Molecular Properties

Compound Name1-cyclooctyl-1,2,4-triazolidine
PubChem CID135257321
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-cyclooctyl-1,2,4-triazolidine
SMILESC1CCCC(N2CNCN2)CCC1
InChIInChI=1S/C10H21N3/c1-2-4-6-10(7-5-3-1)13-9-11-8-12-13/h10-12H,1-9H2
InChIKeyJSRYMFMZZCPYSJ-UHFFFAOYSA-N
XLogP1.42
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-1,2,4-triazolidine?
The IUPAC name of 1-cyclooctyl-1,2,4-triazolidine (CID 135257321) is 1-cyclooctyl-1,2,4-triazolidine.
What is the SMILES notation for 1-cyclooctyl-1,2,4-triazolidine?
The canonical SMILES for 1-cyclooctyl-1,2,4-triazolidine is C1CCCC(N2CNCN2)CCC1.
What is the InChIKey of 1-cyclooctyl-1,2,4-triazolidine?
The InChIKey is JSRYMFMZZCPYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-2-4-6-10(7-5-3-1)13-9-11-8-12-13/h10-12H,1-9H2.
What are the key properties of 1-cyclooctyl-1,2,4-triazolidine?
1-cyclooctyl-1,2,4-triazolidine has a molecular weight of 183.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-1,2,4-triazolidine is sourced from PubChem (CID 135257321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).