Molecular Identity
Allobarbital
5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID: 5842
Allobarbital is a member of barbiturates.
2D Structure
Properties
C10H12N2O3
Molecular Formula
208.21
Molecular Weight
g/mol
208.0848
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
75.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
315
Complexity
SMILES
Canonical SMILES
SMILES: C=CCC1(C(=O)NC(=O)NC1=O)CC=CIsomeric SMILES
SMILES: C=CCC1(C(=O)NC(=O)NC1=O)CC=CSynonyms(20)
ALLOBARBITALAllobarbitone5,5-Diallylbarbituric acidDiallylbarbitalDiallymal52-43-7Diallylbarbituric acidAlobarbitalNSC-9324Allobarbitalum2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-di-2-propenyl-8NT43GG2HADTXSID9022572diallylmaldiallyl barbituric acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Allobarbital
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