4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one

C13H10F2N4O — CID 168887953

IUPAC4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one
SMILESCc1c2ncnc(-c3ccc(F)cc3F)n2c(=O)n1C
InChIInChI=1S/C13H10F2N4O/c1-7-11-16-6-17-12(19(11)13(20)18(7)2)9-4-3-8(14)5-10(9)15/h3-6H,1-2H3
InChIKeyLPHPGADFDNQCKS-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.68
Rot. Bonds1

About 4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one

4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one (PubChem CID 168887953) has the molecular formula C13H10F2N4O and a molecular weight of 276.25 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one
PubChem CID168887953
Molecular FormulaC13H10F2N4O
Molecular Weight276.25 g/mol
Exact Mass276.08
IUPAC Name4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one
SMILESCc1c2ncnc(-c3ccc(F)cc3F)n2c(=O)n1C
InChIInChI=1S/C13H10F2N4O/c1-7-11-16-6-17-12(19(11)13(20)18(7)2)9-4-3-8(14)5-10(9)15/h3-6H,1-2H3
InChIKeyLPHPGADFDNQCKS-UHFFFAOYSA-N
XLogP1.68
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 168887613
1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one
CID 126696692
3-(2,4-difluorophenyl)-5-[2-(4-fluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazole
CID 58243544
[5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82473301
4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82297355
3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
CID 46930537
3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole
CID 58240274
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598
5-(2,4-difluorophenyl)-1,2-dimethylpyrrole-3-carbonitrile
CID 116828603
3-(bromomethyl)-5-(2,4-difluorophenyl)-4-propyl-1,2,4-triazole
CID 113302498
5-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)benzaldehyde
CID 58542031
4-(2,4-difluorophenyl)-1-ethylimidazole
CID 141121326

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one?
The IUPAC name of 4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one (CID 168887953) is 4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one?
The canonical SMILES for 4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one is Cc1c2ncnc(-c3ccc(F)cc3F)n2c(=O)n1C.
What is the InChIKey of 4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one?
The InChIKey is LPHPGADFDNQCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O/c1-7-11-16-6-17-12(19(11)13(20)18(7)2)9-4-3-8(14)5-10(9)15/h3-6H,1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one?
4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one has a molecular weight of 276.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one is sourced from PubChem (CID 168887953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).