7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione

C15H13BrN4O3 — CID 35754479

IUPAC7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCn1c(=O)n(C)c2nc(Br)c(CC(=O)c3ccccc3)n2c1=O
InChIInChI=1S/C15H13BrN4O3/c1-18-13-17-12(16)10(20(13)15(23)19(2)14(18)22)8-11(21)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyQKHCOXSKXTVFMN-UHFFFAOYSA-N
MW377.20 g/mol
LogP0.92
Rot. Bonds3

About 7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione

7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 35754479) has the molecular formula C15H13BrN4O3 and a molecular weight of 377.20 g/mol. Its IUPAC name is 7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID35754479
Molecular FormulaC15H13BrN4O3
Molecular Weight377.20 g/mol
Exact Mass376.02
IUPAC Name7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCn1c(=O)n(C)c2nc(Br)c(CC(=O)c3ccccc3)n2c1=O
InChIInChI=1S/C15H13BrN4O3/c1-18-13-17-12(16)10(20(13)15(23)19(2)14(18)22)8-11(21)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyQKHCOXSKXTVFMN-UHFFFAOYSA-N
XLogP0.92
TPSA78.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione (CID 35754479) is 7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione is Cn1c(=O)n(C)c2nc(Br)c(CC(=O)c3ccccc3)n2c1=O.
What is the InChIKey of 7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is QKHCOXSKXTVFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O3/c1-18-13-17-12(16)10(20(13)15(23)19(2)14(18)22)8-11(21)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione?
7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 377.20 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,3-dimethyl-6-phenacylimidazo[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 35754479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).