6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone

C13H13N3O3 — CID 104939006

IUPAC6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone
SMILESO=C(c1cc(O)cc(O)c1)N1CCn2ccnc2C1
InChIInChI=1S/C13H13N3O3/c17-10-5-9(6-11(18)7-10)13(19)16-4-3-15-2-1-14-12(15)8-16/h1-2,5-7,17-18H,3-4,8H2
InChIKeyHMMUOMJMTVZUCL-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.95
Rot. Bonds1

About 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone

6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone (PubChem CID 104939006) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone
PubChem CID104939006
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone
SMILESO=C(c1cc(O)cc(O)c1)N1CCn2ccnc2C1
InChIInChI=1S/C13H13N3O3/c17-10-5-9(6-11(18)7-10)13(19)16-4-3-15-2-1-14-12(15)8-16/h1-2,5-7,17-18H,3-4,8H2
InChIKeyHMMUOMJMTVZUCL-UHFFFAOYSA-N
XLogP0.95
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone (CID 104939006) is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone is O=C(c1cc(O)cc(O)c1)N1CCn2ccnc2C1.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone?
The InChIKey is HMMUOMJMTVZUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-10-5-9(6-11(18)7-10)13(19)16-4-3-15-2-1-14-12(15)8-16/h1-2,5-7,17-18H,3-4,8H2.
What are the key properties of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone?
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone has a molecular weight of 259.26 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 104939006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).