2-[(3-Bromobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
2-[(3-bromophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Molecular Identity
2-[(3-Bromobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
2-[(3-bromophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID: 2032611
2D Structure
Properties
C13H12BrN5O
Molecular Formula
334.17
Molecular Weight
g/mol
333.0225
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
69.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
513
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC(=CC=C3)BrIsomeric SMILES
SMILES: CC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC(=CC=C3)BrSynonyms(10)
CHEMBL4064230STK853125AKOS001878647AKOS005630281SR-01000100440SR-01000100440-12-[(3-bromobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one2-{[(3-BROMOPHENYL)METHYL]AMINO}-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-ONEEXP
Data from PubChem (NCBI)
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Molecular Structure
2-[(3-Bromobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
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Drug Network
Trials and conditions connected to 2-[(3-Bromobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
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