7-Ethyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene

HCID 145286

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 95510-44-4
Standard SMILES: CCN1CCCN2CCCN=C12
InChIKey: AAPJUEKLMYSSCH-UHFFFAOYSA-N
Molecular formula: C9H17N3
Average molar mass: 167.25 g/mol
Monoisotopic mass: 167.14224756

Names & identifiers

Preferred name: 7-Ethyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene
IUPAC: 1-ethyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine

Names & synonyms

7-Ethyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene95510-44-4DTXSID10241866RefChem:310738DTXCID40164357ETBDSCHEMBL252362N-ethyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene7-ethyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (ETBD)1-Ethyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Database identifiers

CAS: 95510-44-4
PubChem CID: 145286
DTXSID: DTXSID10241866
Nikkaji: J2.458.054G

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 18.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…