CID 174734278

C6H5N3O2Si — CID 174734278

IUPAC—
SMILESO1O[Si]1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.O2Si/c1-2-4-6-5(3-1)7-9-8-6;1-2-3-1/h1-4H,(H,7,8,9);
InChIKeyODBNPPRUMLKDTF-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.44
Rot. Bonds

About CID 174734278

CID 174734278 (PubChem CID 174734278) has the molecular formula C6H5N3O2Si and a molecular weight of 179.21 g/mol.

Molecular Properties

Compound NameCID 174734278
PubChem CID174734278
Molecular FormulaC6H5N3O2Si
Molecular Weight179.21 g/mol
Exact Mass179.02
IUPAC Name—
SMILESO1O[Si]1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.O2Si/c1-2-4-6-5(3-1)7-9-8-6;1-2-3-1/h1-4H,(H,7,8,9);
InChIKeyODBNPPRUMLKDTF-UHFFFAOYSA-N
XLogP0.44
TPSA66.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174734278?
The IUPAC name of CID 174734278 (CID 174734278) is not available.
What is the SMILES notation for CID 174734278?
The canonical SMILES for CID 174734278 is O1O[Si]1.c1ccc2n[nH]nc2c1.
What is the InChIKey of CID 174734278?
The InChIKey is ODBNPPRUMLKDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.O2Si/c1-2-4-6-5(3-1)7-9-8-6;1-2-3-1/h1-4H,(H,7,8,9);.
What are the key properties of CID 174734278?
CID 174734278 has a molecular weight of 179.21 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174734278 is sourced from PubChem (CID 174734278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).