6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine

C13H11BrN4 — CID 627455

IUPAC6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
SMILESCc1nc2nc(-c3ccc(Br)cc3)cn2nc1C
InChIInChI=1S/C13H11BrN4/c1-8-9(2)17-18-7-12(16-13(18)15-8)10-3-5-11(14)6-4-10/h3-7H,1-2H3
InChIKeyHANDQDBADDBKLH-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.17
Rot. Bonds1

About 6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine

6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine (PubChem CID 627455) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
PubChem CID627455
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
SMILESCc1nc2nc(-c3ccc(Br)cc3)cn2nc1C
InChIInChI=1S/C13H11BrN4/c1-8-9(2)17-18-7-12(16-13(18)15-8)10-3-5-11(14)6-4-10/h3-7H,1-2H3
InChIKeyHANDQDBADDBKLH-UHFFFAOYSA-N
XLogP3.17
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine (CID 627455) is 6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine is Cc1nc2nc(-c3ccc(Br)cc3)cn2nc1C.
What is the InChIKey of 6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine?
The InChIKey is HANDQDBADDBKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-8-9(2)17-18-7-12(16-13(18)15-8)10-3-5-11(14)6-4-10/h3-7H,1-2H3.
What are the key properties of 6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine?
6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine has a molecular weight of 303.16 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 627455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).