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

C14H15FN4O2 — CID 45493160

IUPAC6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2
InChIInChI=1S/C14H15FN4O2/c1-9(2)7-18-13(20)16-12-8-17(14(21)19(12)18)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyLCYKCEXCMMXCEM-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.83
Rot. Bonds3

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

6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 45493160) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID45493160
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2
InChIInChI=1S/C14H15FN4O2/c1-9(2)7-18-13(20)16-12-8-17(14(21)19(12)18)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyLCYKCEXCMMXCEM-UHFFFAOYSA-N
XLogP1.83
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-N'-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]urea
CID 2813976
2-(Cyclopropylmethyl)-4-(2-fluorophenyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one
CID 3433313
2-(cyclopropylmethyl)-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3254621
2-[4-(4-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
CID 1482011
2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
CID 3846659
3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one
CID 2180669
2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
CID 4269177
6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 155550165
6-phenyl-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 16767041
methyl [6-(4-fluorophenyl)-2,5-dioxo-2,5,6,7-tetrahydro-3H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetate
CID 39354803
6-(3-fluorophenyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 45496053
6-(3-methylphenyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 39040585

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 45493160) is 6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is CC(C)Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2.
What is the InChIKey of 6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is LCYKCEXCMMXCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-9(2)7-18-13(20)16-12-8-17(14(21)19(12)18)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 290.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(2-methylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 45493160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).