7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C14H19FN4O — CID 79091585

IUPAC7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCNCc1cc(F)ccc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C14H19FN4O/c1-16-7-10-6-11(15)2-3-13(10)18-4-5-19-12(9-18)8-17-14(19)20/h2-3,6,12,16H,4-5,7-9H2,1H3,(H,17,20)
InChIKeyBMZVSBNOMAGOFC-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.76
Rot. Bonds3

About 7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091585) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091585
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCNCc1cc(F)ccc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C14H19FN4O/c1-16-7-10-6-11(15)2-3-13(10)18-4-5-19-12(9-18)8-17-14(19)20/h2-3,6,12,16H,4-5,7-9H2,1H3,(H,17,20)
InChIKeyBMZVSBNOMAGOFC-UHFFFAOYSA-N
XLogP0.76
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091585) is 7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CNCc1cc(F)ccc1N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is BMZVSBNOMAGOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-16-7-10-6-11(15)2-3-13(10)18-4-5-19-12(9-18)8-17-14(19)20/h2-3,6,12,16H,4-5,7-9H2,1H3,(H,17,20).
What are the key properties of 7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 278.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).