1,5,8-triazaspiro[2.6]nonane

C6H13N3 — CID 23135285

IUPAC1,5,8-triazaspiro[2.6]nonane
SMILESC1CNCC2(CN1)CN2
InChIInChI=1S/C6H13N3/c1-2-8-4-6(3-7-1)5-9-6/h7-9H,1-5H2
InChIKeyARFFJTJMIRIHAF-UHFFFAOYSA-N
MW127.19 g/mol
LogP-1.48
Rot. Bonds

About 1,5,8-triazaspiro[2.6]nonane

1,5,8-triazaspiro[2.6]nonane (PubChem CID 23135285) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,5,8-triazaspiro[2.6]nonane.

Molecular Properties

Compound Name1,5,8-triazaspiro[2.6]nonane
PubChem CID23135285
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1,5,8-triazaspiro[2.6]nonane
SMILESC1CNCC2(CN1)CN2
InChIInChI=1S/C6H13N3/c1-2-8-4-6(3-7-1)5-9-6/h7-9H,1-5H2
InChIKeyARFFJTJMIRIHAF-UHFFFAOYSA-N
XLogP-1.48
TPSA46.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5,8-triazaspiro[2.6]nonane?
The IUPAC name of 1,5,8-triazaspiro[2.6]nonane (CID 23135285) is 1,5,8-triazaspiro[2.6]nonane.
What is the SMILES notation for 1,5,8-triazaspiro[2.6]nonane?
The canonical SMILES for 1,5,8-triazaspiro[2.6]nonane is C1CNCC2(CN1)CN2.
What is the InChIKey of 1,5,8-triazaspiro[2.6]nonane?
The InChIKey is ARFFJTJMIRIHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-8-4-6(3-7-1)5-9-6/h7-9H,1-5H2.
What are the key properties of 1,5,8-triazaspiro[2.6]nonane?
1,5,8-triazaspiro[2.6]nonane has a molecular weight of 127.19 g/mol, XLogP of -1.48, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8-triazaspiro[2.6]nonane is sourced from PubChem (CID 23135285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).