ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium

C10H11N3O3SY-2 — CID 58558014

IUPACethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium
SMILESC[C-]=O.[CH2-]c1cnc2c(ccn2S(C)(=O)=O)n1.[Y]
InChIInChI=1S/C8H8N3O2S.C2H3O.Y/c1-6-5-9-8-7(10-6)3-4-11(8)14(2,12)13;1-2-3;/h3-5H,1H2,2H3;1H3;/q2*-1;
InChIKeyDPVAHMZMURHALX-UHFFFAOYSA-N
MW342.19 g/mol
LogP0.53
Rot. Bonds1

About ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium

ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium (PubChem CID 58558014) has the molecular formula C10H11N3O3SY-2 and a molecular weight of 342.19 g/mol. Its IUPAC name is ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium.

Molecular Properties

Compound Nameethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium
PubChem CID58558014
Molecular FormulaC10H11N3O3SY-2
Molecular Weight342.19 g/mol
Exact Mass341.96
IUPAC Nameethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium
SMILESC[C-]=O.[CH2-]c1cnc2c(ccn2S(C)(=O)=O)n1.[Y]
InChIInChI=1S/C8H8N3O2S.C2H3O.Y/c1-6-5-9-8-7(10-6)3-4-11(8)14(2,12)13;1-2-3;/h3-5H,1H2,2H3;1H3;/q2*-1;
InChIKeyDPVAHMZMURHALX-UHFFFAOYSA-N
XLogP0.53
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium?
The IUPAC name of ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium (CID 58558014) is ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium.
What is the SMILES notation for ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium?
The canonical SMILES for ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium is C[C-]=O.[CH2-]c1cnc2c(ccn2S(C)(=O)=O)n1.[Y].
What is the InChIKey of ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium?
The InChIKey is DPVAHMZMURHALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3O2S.C2H3O.Y/c1-6-5-9-8-7(10-6)3-4-11(8)14(2,12)13;1-2-3;/h3-5H,1H2,2H3;1H3;/q2*-1;.
What are the key properties of ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium?
ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium has a molecular weight of 342.19 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;2-methanidyl-5-methylsulfonylpyrrolo[2,3-b]pyrazine;yttrium is sourced from PubChem (CID 58558014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).