2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one

C20H24FN5O2 — CID 78147345

IUPAC2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESO=C1NC(CN2CC(c3ccc(F)cc3)C2)Nn2c1cnc2C1CCOCC1
InChIInChI=1S/C20H24FN5O2/c21-16-3-1-13(2-4-16)15-10-25(11-15)12-18-23-20(27)17-9-22-19(26(17)24-18)14-5-7-28-8-6-14/h1-4,9,14-15,18,24H,5-8,10-12H2,(H,23,27)
InChIKeyHHZUTIXRFFUVAC-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.63
Rot. Bonds4

About 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one

2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 78147345) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID78147345
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESO=C1NC(CN2CC(c3ccc(F)cc3)C2)Nn2c1cnc2C1CCOCC1
InChIInChI=1S/C20H24FN5O2/c21-16-3-1-13(2-4-16)15-10-25(11-15)12-18-23-20(27)17-9-22-19(26(17)24-18)14-5-7-28-8-6-14/h1-4,9,14-15,18,24H,5-8,10-12H2,(H,23,27)
InChIKeyHHZUTIXRFFUVAC-UHFFFAOYSA-N
XLogP1.63
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 78147345) is 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one is O=C1NC(CN2CC(c3ccc(F)cc3)C2)Nn2c1cnc2C1CCOCC1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is HHZUTIXRFFUVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-16-3-1-13(2-4-16)15-10-25(11-15)12-18-23-20(27)17-9-22-19(26(17)24-18)14-5-7-28-8-6-14/h1-4,9,14-15,18,24H,5-8,10-12H2,(H,23,27).
What are the key properties of 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 385.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-(oxan-4-yl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 78147345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).