[2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid

C9H10N3O4PS — CID 22280443

IUPAC[2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid
SMILESCSc1ncc(N)nc1-c1occc1P(=O)(O)O
InChIInChI=1S/C9H10N3O4PS/c1-18-9-7(12-6(10)4-11-9)8-5(2-3-16-8)17(13,14)15/h2-4H,1H3,(H2,10,12)(H2,13,14,15)
InChIKeyNDDJLIAMAJBWIQ-UHFFFAOYSA-N
MW287.24 g/mol
LogP0.84
Rot. Bonds3

About [2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid

[2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid (PubChem CID 22280443) has the molecular formula C9H10N3O4PS and a molecular weight of 287.24 g/mol. Its IUPAC name is [2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid.

Molecular Properties

Compound Name[2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid
PubChem CID22280443
Molecular FormulaC9H10N3O4PS
Molecular Weight287.24 g/mol
Exact Mass287.01
IUPAC Name[2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid
SMILESCSc1ncc(N)nc1-c1occc1P(=O)(O)O
InChIInChI=1S/C9H10N3O4PS/c1-18-9-7(12-6(10)4-11-9)8-5(2-3-16-8)17(13,14)15/h2-4H,1H3,(H2,10,12)(H2,13,14,15)
InChIKeyNDDJLIAMAJBWIQ-UHFFFAOYSA-N
XLogP0.84
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid?
The IUPAC name of [2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid (CID 22280443) is [2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid.
What is the SMILES notation for [2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid?
The canonical SMILES for [2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid is CSc1ncc(N)nc1-c1occc1P(=O)(O)O.
What is the InChIKey of [2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid?
The InChIKey is NDDJLIAMAJBWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N3O4PS/c1-18-9-7(12-6(10)4-11-9)8-5(2-3-16-8)17(13,14)15/h2-4H,1H3,(H2,10,12)(H2,13,14,15).
What are the key properties of [2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid?
[2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid has a molecular weight of 287.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid is sourced from PubChem (CID 22280443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).