CID 173227396

C4H6N3O3Si — CID 173227396

IUPAC—
SMILESC[Si].N=C=O.N=C=O.N=C=O
InChIInChI=1S/3CHNO.CH3Si/c3*2-1-3;1-2/h3*2H;1H3
InChIKeyOWUAQHHUVNORNK-UHFFFAOYSA-N
MW172.20 g/mol
LogP-0.09
Rot. Bonds

About CID 173227396

CID 173227396 (PubChem CID 173227396) has the molecular formula C4H6N3O3Si and a molecular weight of 172.20 g/mol.

Molecular Properties

Compound NameCID 173227396
PubChem CID173227396
Molecular FormulaC4H6N3O3Si
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Name—
SMILESC[Si].N=C=O.N=C=O.N=C=O
InChIInChI=1S/3CHNO.CH3Si/c3*2-1-3;1-2/h3*2H;1H3
InChIKeyOWUAQHHUVNORNK-UHFFFAOYSA-N
XLogP-0.09
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173227396?
The IUPAC name of CID 173227396 (CID 173227396) is not available.
What is the SMILES notation for CID 173227396?
The canonical SMILES for CID 173227396 is C[Si].N=C=O.N=C=O.N=C=O.
What is the InChIKey of CID 173227396?
The InChIKey is OWUAQHHUVNORNK-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHNO.CH3Si/c3*2-1-3;1-2/h3*2H;1H3.
What are the key properties of CID 173227396?
CID 173227396 has a molecular weight of 172.20 g/mol, XLogP of -0.09, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173227396 is sourced from PubChem (CID 173227396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).