6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine

C9H13N3 — CID 174018766

IUPAC6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine
SMILESC1=CCCc2nncn2CCC1
InChIInChI=1S/C9H13N3/c1-2-4-6-9-11-10-8-12(9)7-5-3-1/h1-2,8H,3-7H2
InChIKeyUMKBCRGTRBWIBO-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.56
Rot. Bonds

About 6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine

6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine (PubChem CID 174018766) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine.

Molecular Properties

Compound Name6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine
PubChem CID174018766
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine
SMILESC1=CCCc2nncn2CCC1
InChIInChI=1S/C9H13N3/c1-2-4-6-9-11-10-8-12(9)7-5-3-1/h1-2,8H,3-7H2
InChIKeyUMKBCRGTRBWIBO-UHFFFAOYSA-N
XLogP1.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine?
The IUPAC name of 6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine (CID 174018766) is 6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine.
What is the SMILES notation for 6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine?
The canonical SMILES for 6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine is C1=CCCc2nncn2CCC1.
What is the InChIKey of 6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine?
The InChIKey is UMKBCRGTRBWIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-4-6-9-11-10-8-12(9)7-5-3-1/h1-2,8H,3-7H2.
What are the key properties of 6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine?
6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine has a molecular weight of 163.22 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine is sourced from PubChem (CID 174018766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).