CID 175154223

C6H6N2OSi — CID 175154223

IUPAC—
SMILESNC(=O)c1cccnc1.[Si]
InChIInChI=1S/C6H6N2O.Si/c7-6(9)5-2-1-3-8-4-5;/h1-4H,(H2,7,9);
InChIKeyHWSCARAJJYSJNQ-UHFFFAOYSA-N
MW150.21 g/mol
LogP-0.20
Rot. Bonds1

About CID 175154223

CID 175154223 (PubChem CID 175154223) has the molecular formula C6H6N2OSi and a molecular weight of 150.21 g/mol.

Molecular Properties

Compound NameCID 175154223
PubChem CID175154223
Molecular FormulaC6H6N2OSi
Molecular Weight150.21 g/mol
Exact Mass150.02
IUPAC Name—
SMILESNC(=O)c1cccnc1.[Si]
InChIInChI=1S/C6H6N2O.Si/c7-6(9)5-2-1-3-8-4-5;/h1-4H,(H2,7,9);
InChIKeyHWSCARAJJYSJNQ-UHFFFAOYSA-N
XLogP-0.20
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-aminobenzoic acid;pyridine-3-carboxamide
CID 23082444
pyridine-3-carboxamide;1,3-thiazole
CID 174906331
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Frequently Asked Questions

What is the IUPAC name of CID 175154223?
The IUPAC name of CID 175154223 (CID 175154223) is not available.
What is the SMILES notation for CID 175154223?
The canonical SMILES for CID 175154223 is NC(=O)c1cccnc1.[Si].
What is the InChIKey of CID 175154223?
The InChIKey is HWSCARAJJYSJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.Si/c7-6(9)5-2-1-3-8-4-5;/h1-4H,(H2,7,9);.
What are the key properties of CID 175154223?
CID 175154223 has a molecular weight of 150.21 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175154223 is sourced from PubChem (CID 175154223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).