8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one

C14H13F4N5O — CID 126728846

IUPAC8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one
SMILESNC1=NC(c2cc(N)ccc2F)Cn2c1cn(CC(F)(F)F)c2=O
InChIInChI=1S/C14H13F4N5O/c15-9-2-1-7(19)3-8(9)10-4-23-11(12(20)21-10)5-22(13(23)24)6-14(16,17)18/h1-3,5,10H,4,6,19H2,(H2,20,21)
InChIKeyZBDAIBYKRKDHRU-UHFFFAOYSA-N
MW343.28 g/mol
LogP1.39
Rot. Bonds2

About 8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one

8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 126728846) has the molecular formula C14H13F4N5O and a molecular weight of 343.28 g/mol. Its IUPAC name is 8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one
PubChem CID126728846
Molecular FormulaC14H13F4N5O
Molecular Weight343.28 g/mol
Exact Mass343.11
IUPAC Name8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one
SMILESNC1=NC(c2cc(N)ccc2F)Cn2c1cn(CC(F)(F)F)c2=O
InChIInChI=1S/C14H13F4N5O/c15-9-2-1-7(19)3-8(9)10-4-23-11(12(20)21-10)5-22(13(23)24)6-14(16,17)18/h1-3,5,10H,4,6,19H2,(H2,20,21)
InChIKeyZBDAIBYKRKDHRU-UHFFFAOYSA-N
XLogP1.39
TPSA91.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one (CID 126728846) is 8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one is NC1=NC(c2cc(N)ccc2F)Cn2c1cn(CC(F)(F)F)c2=O.
What is the InChIKey of 8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is ZBDAIBYKRKDHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N5O/c15-9-2-1-7(19)3-8(9)10-4-23-11(12(20)21-10)5-22(13(23)24)6-14(16,17)18/h1-3,5,10H,4,6,19H2,(H2,20,21).
What are the key properties of 8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one?
8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 343.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(5-amino-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 126728846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).