7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C13H17FN4O — CID 79091384

IUPAC7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1ccc(N2CCN3C(=O)NCC3C2)c(F)c1
InChIInChI=1S/C13H17FN4O/c14-11-5-9(6-15)1-2-12(11)17-3-4-18-10(8-17)7-16-13(18)19/h1-2,5,10H,3-4,6-8,15H2,(H,16,19)
InChIKeyXZUGKZVEOOMYMM-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.50
Rot. Bonds2

About 7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091384) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091384
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1ccc(N2CCN3C(=O)NCC3C2)c(F)c1
InChIInChI=1S/C13H17FN4O/c14-11-5-9(6-15)1-2-12(11)17-3-4-18-10(8-17)7-16-13(18)19/h1-2,5,10H,3-4,6-8,15H2,(H,16,19)
InChIKeyXZUGKZVEOOMYMM-UHFFFAOYSA-N
XLogP0.50
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091384) is 7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is NCc1ccc(N2CCN3C(=O)NCC3C2)c(F)c1.
What is the InChIKey of 7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is XZUGKZVEOOMYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c14-11-5-9(6-15)1-2-12(11)17-3-4-18-10(8-17)7-16-13(18)19/h1-2,5,10H,3-4,6-8,15H2,(H,16,19).
What are the key properties of 7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 264.30 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).