Molecular Identity
Triazabicyclodecene
3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID: 79873
3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is a member of pyrimidines.
2D Structure
Properties
C7H13N3
Molecular Formula
139.20
Molecular Weight
g/mol
139.1109
Exact Mass
Da
-0.3
XLogP
Drug-like (Lipinski: < 5)
27.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
153
Complexity
SMILES
Canonical SMILES
SMILES: C1CNC2=NCCCN2C1Isomeric SMILES
SMILES: C1CNC2=NCCCN2C1Synonyms(20)
TriazabicyclodeceneKAF7GN82TMTBD compoundRefChem:9333185807-14-71,5,7-Triazabicyclo[4.4.0]dec-5-ene1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidineHhpp2,3,4,6,7,8-Hexahydro-1H-pyrimido[1,2-a]pyrimidine3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine1,3,4,6,7,8-Hexahydro-2H-pyrimido(1,2-a)pyrimidineMFCD000430032H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-1,5,7-triazabicyclo(4.4.0)dec-5-ene1H,2H,3H,4H,6H,7H,8H-[1,3]diazino[1,2-a]pyrimidine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Triazabicyclodecene
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