4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide

C24H19BrN4O — CID 16682159

IUPAC4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide
SMILESBr.Cc1c(-c2ccc(O)cc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12
InChIInChI=1S/C24H18N4O.BrH/c1-16-21(19-12-14-20(29)15-13-19)25-24-26-22(17-8-4-2-5-9-17)23(27-28(16)24)18-10-6-3-7-11-18;/h2-15,29H,1H3;1H
InChIKeyFVQUDKUFZXHIEF-UHFFFAOYSA-N
MW459.35 g/mol
LogP5.72
Rot. Bonds3

About 4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide

4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide (PubChem CID 16682159) has the molecular formula C24H19BrN4O and a molecular weight of 459.35 g/mol. Its IUPAC name is 4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide.

Molecular Properties

Compound Name4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide
PubChem CID16682159
Molecular FormulaC24H19BrN4O
Molecular Weight459.35 g/mol
Exact Mass458.07
IUPAC Name4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide
SMILESBr.Cc1c(-c2ccc(O)cc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12
InChIInChI=1S/C24H18N4O.BrH/c1-16-21(19-12-14-20(29)15-13-19)25-24-26-22(17-8-4-2-5-9-17)23(27-28(16)24)18-10-6-3-7-11-18;/h2-15,29H,1H3;1H
InChIKeyFVQUDKUFZXHIEF-UHFFFAOYSA-N
XLogP5.72
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.35
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide?
The IUPAC name of 4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide (CID 16682159) is 4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide.
What is the SMILES notation for 4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide?
The canonical SMILES for 4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide is Br.Cc1c(-c2ccc(O)cc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12.
What is the InChIKey of 4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide?
The InChIKey is FVQUDKUFZXHIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O.BrH/c1-16-21(19-12-14-20(29)15-13-19)25-24-26-22(17-8-4-2-5-9-17)23(27-28(16)24)18-10-6-3-7-11-18;/h2-15,29H,1H3;1H.
What are the key properties of 4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide?
4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide has a molecular weight of 459.35 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol;hydrobromide is sourced from PubChem (CID 16682159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).