1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid

C7H5F3N4O3 — CID 68853248

IUPAC1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1[nH]c2nccnc2[nH]1
InChIInChI=1S/C5H4N4O.C2HF3O2/c10-5-8-3-4(9-5)7-2-1-6-3;3-2(4,5)1(6)7/h1-2H,(H2,6,7,8,9,10);(H,6,7)
InChIKeyYLAMKAGQFZBIKI-UHFFFAOYSA-N
MW250.14 g/mol
LogP0.28
Rot. Bonds

About 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid

1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 68853248) has the molecular formula C7H5F3N4O3 and a molecular weight of 250.14 g/mol. Its IUPAC name is 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID68853248
Molecular FormulaC7H5F3N4O3
Molecular Weight250.14 g/mol
Exact Mass250.03
IUPAC Name1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1[nH]c2nccnc2[nH]1
InChIInChI=1S/C5H4N4O.C2HF3O2/c10-5-8-3-4(9-5)7-2-1-6-3;3-2(4,5)1(6)7/h1-2H,(H2,6,7,8,9,10);(H,6,7)
InChIKeyYLAMKAGQFZBIKI-UHFFFAOYSA-N
XLogP0.28
TPSA111.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid (CID 68853248) is 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=c1[nH]c2nccnc2[nH]1.
What is the InChIKey of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is YLAMKAGQFZBIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O.C2HF3O2/c10-5-8-3-4(9-5)7-2-1-6-3;3-2(4,5)1(6)7/h1-2H,(H2,6,7,8,9,10);(H,6,7).
What are the key properties of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 250.14 g/mol, XLogP of 0.28, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68853248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).