1,2,4-triazaspiro[5.5]undecane

C8H17N3 — CID 22397605

IUPAC1,2,4-triazaspiro[5.5]undecane
SMILESC1CCC2(CC1)CNCNN2
InChIInChI=1S/C8H17N3/c1-2-4-8(5-3-1)6-9-7-10-11-8/h9-11H,1-7H2
InChIKeyCZIULXXOZJGWFO-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.34
Rot. Bonds

About 1,2,4-triazaspiro[5.5]undecane

1,2,4-triazaspiro[5.5]undecane (PubChem CID 22397605) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 1,2,4-triazaspiro[5.5]undecane.

Molecular Properties

Compound Name1,2,4-triazaspiro[5.5]undecane
PubChem CID22397605
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name1,2,4-triazaspiro[5.5]undecane
SMILESC1CCC2(CC1)CNCNN2
InChIInChI=1S/C8H17N3/c1-2-4-8(5-3-1)6-9-7-10-11-8/h9-11H,1-7H2
InChIKeyCZIULXXOZJGWFO-UHFFFAOYSA-N
XLogP0.34
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-triazaspiro[5.5]undecane?
The IUPAC name of 1,2,4-triazaspiro[5.5]undecane (CID 22397605) is 1,2,4-triazaspiro[5.5]undecane.
What is the SMILES notation for 1,2,4-triazaspiro[5.5]undecane?
The canonical SMILES for 1,2,4-triazaspiro[5.5]undecane is C1CCC2(CC1)CNCNN2.
What is the InChIKey of 1,2,4-triazaspiro[5.5]undecane?
The InChIKey is CZIULXXOZJGWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-2-4-8(5-3-1)6-9-7-10-11-8/h9-11H,1-7H2.
What are the key properties of 1,2,4-triazaspiro[5.5]undecane?
1,2,4-triazaspiro[5.5]undecane has a molecular weight of 155.24 g/mol, XLogP of 0.34, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triazaspiro[5.5]undecane is sourced from PubChem (CID 22397605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).