2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine

C15H13BrN4 — CID 630093

IUPAC2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
SMILESBrc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1
InChIInChI=1S/C15H13BrN4/c16-11-7-5-10(6-8-11)14-9-20-15(18-14)17-12-3-1-2-4-13(12)19-20/h5-9H,1-4H2
InChIKeyCLBFAKALONTKBD-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.43
Rot. Bonds1

About 2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine

2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine (PubChem CID 630093) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
PubChem CID630093
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
SMILESBrc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1
InChIInChI=1S/C15H13BrN4/c16-11-7-5-10(6-8-11)14-9-20-15(18-14)17-12-3-1-2-4-13(12)19-20/h5-9H,1-4H2
InChIKeyCLBFAKALONTKBD-UHFFFAOYSA-N
XLogP3.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The IUPAC name of 2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine (CID 630093) is 2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine.
What is the SMILES notation for 2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The canonical SMILES for 2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine is Brc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
The InChIKey is CLBFAKALONTKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c16-11-7-5-10(6-8-11)14-9-20-15(18-14)17-12-3-1-2-4-13(12)19-20/h5-9H,1-4H2.
What are the key properties of 2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine?
2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine has a molecular weight of 329.20 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine is sourced from PubChem (CID 630093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).