3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one

C13H10N4O2 — CID 59457637

IUPAC3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one
SMILESNc1nc(-c2ccco2)c(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C13H10N4O2/c14-12-13(18)17-10(8-3-5-15-6-4-8)11(16-12)9-2-1-7-19-9/h1-7H,(H2,14,16)(H,17,18)
InChIKeyGBUOCEFMWSVANM-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.67
Rot. Bonds2

About 3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one

3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one (PubChem CID 59457637) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one
PubChem CID59457637
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one
SMILESNc1nc(-c2ccco2)c(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C13H10N4O2/c14-12-13(18)17-10(8-3-5-15-6-4-8)11(16-12)9-2-1-7-19-9/h1-7H,(H2,14,16)(H,17,18)
InChIKeyGBUOCEFMWSVANM-UHFFFAOYSA-N
XLogP1.67
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one?
The IUPAC name of 3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one (CID 59457637) is 3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one is Nc1nc(-c2ccco2)c(-c2ccncc2)[nH]c1=O.
What is the InChIKey of 3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one?
The InChIKey is GBUOCEFMWSVANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-12-13(18)17-10(8-3-5-15-6-4-8)11(16-12)9-2-1-7-19-9/h1-7H,(H2,14,16)(H,17,18).
What are the key properties of 3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one?
3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one has a molecular weight of 254.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one is sourced from PubChem (CID 59457637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).