6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione

C11H9FN4O2 — CID 50947812

IUPAC6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione
SMILESCn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2
InChIInChI=1S/C11H9FN4O2/c1-14-10(17)16-9(13-14)6-15(11(16)18)8-4-2-7(12)3-5-8/h2-5H,6H2,1H3
InChIKeyFRYUSEBFJQERHS-UHFFFAOYSA-N
MW248.22 g/mol
LogP0.71
Rot. Bonds1

About 6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione

6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione (PubChem CID 50947812) has the molecular formula C11H9FN4O2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione
PubChem CID50947812
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC Name6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione
SMILESCn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2
InChIInChI=1S/C11H9FN4O2/c1-14-10(17)16-9(13-14)6-15(11(16)18)8-4-2-7(12)3-5-8/h2-5H,6H2,1H3
InChIKeyFRYUSEBFJQERHS-UHFFFAOYSA-N
XLogP0.71
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 16767050
4-(4-fluorophenyl)-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
CID 82841703
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
CID 129202932
1-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202
5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one
CID 95849232
6-(4-fluorophenyl)-3-prop-2-ynyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 39349966
1-ethyl-3-(4-fluorophenyl)imidazolidin-2-one
CID 23201880
3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 146415369
6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 51054335
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
N-[(2-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]acetamide
CID 46948861
6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 16767058

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione?
The IUPAC name of 6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione (CID 50947812) is 6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione?
The canonical SMILES for 6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione is Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2.
What is the InChIKey of 6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione?
The InChIKey is FRYUSEBFJQERHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2/c1-14-10(17)16-9(13-14)6-15(11(16)18)8-4-2-7(12)3-5-8/h2-5H,6H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione?
6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione has a molecular weight of 248.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione is sourced from PubChem (CID 50947812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).