9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C15H11BrN4O — CID 132819237

IUPAC9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCc2nc3ncnn3c(-c3ccc(Br)cc3)c21
InChIInChI=1S/C15H11BrN4O/c16-10-6-4-9(5-7-10)14-13-11(2-1-3-12(13)21)19-15-17-8-18-20(14)15/h4-8H,1-3H2
InChIKeyMFFCTQLTYFYOGG-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.07
Rot. Bonds1

About 9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 132819237) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID132819237
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCc2nc3ncnn3c(-c3ccc(Br)cc3)c21
InChIInChI=1S/C15H11BrN4O/c16-10-6-4-9(5-7-10)14-13-11(2-1-3-12(13)21)19-15-17-8-18-20(14)15/h4-8H,1-3H2
InChIKeyMFFCTQLTYFYOGG-UHFFFAOYSA-N
XLogP3.07
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 132819237) is 9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is O=C1CCCc2nc3ncnn3c(-c3ccc(Br)cc3)c21.
What is the InChIKey of 9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is MFFCTQLTYFYOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-10-6-4-9(5-7-10)14-13-11(2-1-3-12(13)21)19-15-17-8-18-20(14)15/h4-8H,1-3H2.
What are the key properties of 9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 343.18 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 132819237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).