5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine

C9H14IN3O3Si — CID 89473210

IUPAC5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine
SMILESCCCC(I)O[Si](=O)OCc1cnc(N)cn1
InChIInChI=1S/C9H14IN3O3Si/c1-2-3-8(10)16-17(14)15-6-7-4-13-9(11)5-12-7/h4-5,8H,2-3,6H2,1H3,(H2,11,13)
InChIKeyPPPFYKUYOYVWEZ-UHFFFAOYSA-N
MW367.22 g/mol
LogP1.57
Rot. Bonds7

About 5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine

5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine (PubChem CID 89473210) has the molecular formula C9H14IN3O3Si and a molecular weight of 367.22 g/mol. Its IUPAC name is 5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine
PubChem CID89473210
Molecular FormulaC9H14IN3O3Si
Molecular Weight367.22 g/mol
Exact Mass366.98
IUPAC Name5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine
SMILESCCCC(I)O[Si](=O)OCc1cnc(N)cn1
InChIInChI=1S/C9H14IN3O3Si/c1-2-3-8(10)16-17(14)15-6-7-4-13-9(11)5-12-7/h4-5,8H,2-3,6H2,1H3,(H2,11,13)
InChIKeyPPPFYKUYOYVWEZ-UHFFFAOYSA-N
XLogP1.57
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine?
The IUPAC name of 5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine (CID 89473210) is 5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine.
What is the SMILES notation for 5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine?
The canonical SMILES for 5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine is CCCC(I)O[Si](=O)OCc1cnc(N)cn1.
What is the InChIKey of 5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine?
The InChIKey is PPPFYKUYOYVWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O3Si/c1-2-3-8(10)16-17(14)15-6-7-4-13-9(11)5-12-7/h4-5,8H,2-3,6H2,1H3,(H2,11,13).
What are the key properties of 5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine?
5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine has a molecular weight of 367.22 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine is sourced from PubChem (CID 89473210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).