2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline

C16H12BrN3 — CID 12015024

IUPAC2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline
SMILESBrc1cccc(-c2nc3n(n2)Cc2ccccc2C3)c1
InChIInChI=1S/C16H12BrN3/c17-14-7-3-6-12(8-14)16-18-15-9-11-4-1-2-5-13(11)10-20(15)19-16/h1-8H,9-10H2
InChIKeyTZZQUOIBWQPISF-UHFFFAOYSA-N
MW326.20 g/mol
LogP3.66
Rot. Bonds1

About 2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline

2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline (PubChem CID 12015024) has the molecular formula C16H12BrN3 and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline.

Molecular Properties

Compound Name2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline
PubChem CID12015024
Molecular FormulaC16H12BrN3
Molecular Weight326.20 g/mol
Exact Mass325.02
IUPAC Name2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline
SMILESBrc1cccc(-c2nc3n(n2)Cc2ccccc2C3)c1
InChIInChI=1S/C16H12BrN3/c17-14-7-3-6-12(8-14)16-18-15-9-11-4-1-2-5-13(11)10-20(15)19-16/h1-8H,9-10H2
InChIKeyTZZQUOIBWQPISF-UHFFFAOYSA-N
XLogP3.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156323
[2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153661
2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117128618
9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 141480105
2-(3-bromophenyl)pyrimidine
CID 26967381
2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171816987
5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline
CID 129088173
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
1-bromo-3-phenylbenzene
CID 16449

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline?
The IUPAC name of 2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline (CID 12015024) is 2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline.
What is the SMILES notation for 2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline?
The canonical SMILES for 2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline is Brc1cccc(-c2nc3n(n2)Cc2ccccc2C3)c1.
What is the InChIKey of 2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline?
The InChIKey is TZZQUOIBWQPISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3/c17-14-7-3-6-12(8-14)16-18-15-9-11-4-1-2-5-13(11)10-20(15)19-16/h1-8H,9-10H2.
What are the key properties of 2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline?
2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline has a molecular weight of 326.20 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline is sourced from PubChem (CID 12015024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).