CID 158808778

C3H6N6OSi — CID 158808778

IUPAC—
SMILESNc1nc(N)nc(N)n1.O=[Si]
InChIInChI=1S/C3H6N6.OSi/c4-1-7-2(5)9-3(6)8-1;1-2/h(H6,4,5,6,7,8,9);
InChIKeyIUKIGEJOJAUDJZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-1.88
Rot. Bonds

About CID 158808778

CID 158808778 (PubChem CID 158808778) has the molecular formula C3H6N6OSi and a molecular weight of 170.21 g/mol.

Molecular Properties

Compound NameCID 158808778
PubChem CID158808778
Molecular FormulaC3H6N6OSi
Molecular Weight170.21 g/mol
Exact Mass170.04
IUPAC Name—
SMILESNc1nc(N)nc(N)n1.O=[Si]
InChIInChI=1S/C3H6N6.OSi/c4-1-7-2(5)9-3(6)8-1;1-2/h(H6,4,5,6,7,8,9);
InChIKeyIUKIGEJOJAUDJZ-UHFFFAOYSA-N
XLogP-1.88
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze CID 158808778 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 158808778?
The IUPAC name of CID 158808778 (CID 158808778) is not available.
What is the SMILES notation for CID 158808778?
The canonical SMILES for CID 158808778 is Nc1nc(N)nc(N)n1.O=[Si].
What is the InChIKey of CID 158808778?
The InChIKey is IUKIGEJOJAUDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.OSi/c4-1-7-2(5)9-3(6)8-1;1-2/h(H6,4,5,6,7,8,9);.
What are the key properties of CID 158808778?
CID 158808778 has a molecular weight of 170.21 g/mol, XLogP of -1.88, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158808778 is sourced from PubChem (CID 158808778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).