2,5,8-triazabicyclo[5.2.1]decane

C7H15N3 — CID 118210198

IUPAC2,5,8-triazabicyclo[5.2.1]decane
SMILESC1CNC2CNC(CN1)C2
InChIInChI=1S/C7H15N3/c1-2-9-7-3-6(4-8-1)10-5-7/h6-10H,1-5H2
InChIKeyARIGJNGSHGWKDB-UHFFFAOYSA-N
MW141.22 g/mol
LogP-1.09
Rot. Bonds

About 2,5,8-triazabicyclo[5.2.1]decane

2,5,8-triazabicyclo[5.2.1]decane (PubChem CID 118210198) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2,5,8-triazabicyclo[5.2.1]decane.

Molecular Properties

Compound Name2,5,8-triazabicyclo[5.2.1]decane
PubChem CID118210198
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2,5,8-triazabicyclo[5.2.1]decane
SMILESC1CNC2CNC(CN1)C2
InChIInChI=1S/C7H15N3/c1-2-9-7-3-6(4-8-1)10-5-7/h6-10H,1-5H2
InChIKeyARIGJNGSHGWKDB-UHFFFAOYSA-N
XLogP-1.09
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diazabicyclo[4.1.1]octane
CID 84762047
N,N-di(piperazin-2-yl)piperazin-2-amine
CID 174866401
trans-(2S,8S)-2,8-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 14942559
2-methylpiperazine;hydrate
CID 141084178
2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride
CID 57426967
(2R)-piperazin-2-ol;hydrochloride
CID 139968437
2,5-dimethyl-1,4,7-triazonane
CID 66663266
(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 70323374
azane;2-methylpiperazine;dihydrochloride
CID 174255785
2-methylpiperazine;molecular hydrogen
CID 143777491
(1R,5R)-3,6-diazabicyclo[3.1.1]heptane
CID 98125649
ethane;2-methylpiperazine;propane
CID 171563379

Frequently Asked Questions

What is the IUPAC name of 2,5,8-triazabicyclo[5.2.1]decane?
The IUPAC name of 2,5,8-triazabicyclo[5.2.1]decane (CID 118210198) is 2,5,8-triazabicyclo[5.2.1]decane.
What is the SMILES notation for 2,5,8-triazabicyclo[5.2.1]decane?
The canonical SMILES for 2,5,8-triazabicyclo[5.2.1]decane is C1CNC2CNC(CN1)C2.
What is the InChIKey of 2,5,8-triazabicyclo[5.2.1]decane?
The InChIKey is ARIGJNGSHGWKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-2-9-7-3-6(4-8-1)10-5-7/h6-10H,1-5H2.
What are the key properties of 2,5,8-triazabicyclo[5.2.1]decane?
2,5,8-triazabicyclo[5.2.1]decane has a molecular weight of 141.22 g/mol, XLogP of -1.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8-triazabicyclo[5.2.1]decane is sourced from PubChem (CID 118210198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).