isocyanic acid;trimethylsilane

C6H13N3O3Si — CID 173041502

IUPACisocyanic acid;trimethylsilane
SMILESC[SiH](C)C.N=C=O.N=C=O.N=C=O
InChIInChI=1S/C3H10Si.3CHNO/c1-4(2)3;3*2-1-3/h4H,1-3H3;3*2H
InChIKeyIQQLTJCLBCYUTM-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.81
Rot. Bonds

About isocyanic acid;trimethylsilane

isocyanic acid;trimethylsilane (PubChem CID 173041502) has the molecular formula C6H13N3O3Si and a molecular weight of 203.27 g/mol. Its IUPAC name is isocyanic acid;trimethylsilane.

Molecular Properties

Compound Nameisocyanic acid;trimethylsilane
PubChem CID173041502
Molecular FormulaC6H13N3O3Si
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Nameisocyanic acid;trimethylsilane
SMILESC[SiH](C)C.N=C=O.N=C=O.N=C=O
InChIInChI=1S/C3H10Si.3CHNO/c1-4(2)3;3*2-1-3/h4H,1-3H3;3*2H
InChIKeyIQQLTJCLBCYUTM-UHFFFAOYSA-N
XLogP0.81
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.81
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'}

Analyze isocyanic acid;trimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

CID 87192177
CID 87192177
CID 87330958
CID 87330958
Isocyanic acid;trimethylsilane
CID 158506023
Trimethylsilane;urea
CID 159744942
Isocyanic acid;methoxy(dimethyl)silane
CID 172706949
Isocyanic acid;tetramethylsilane
CID 172764725
Isocyanic acid;methylsilane
CID 172789745
Isocyanic acid;tetramethylsilane
CID 172795388
Dimethylsilane;isocyanic acid
CID 172833315
Isocyanic acid;methane;silane
CID 173031997
Isocyanic acid;methane;silane
CID 173153072
CID 173227396
CID 173227396

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;trimethylsilane?
The IUPAC name of isocyanic acid;trimethylsilane (CID 173041502) is isocyanic acid;trimethylsilane.
What is the SMILES notation for isocyanic acid;trimethylsilane?
The canonical SMILES for isocyanic acid;trimethylsilane is C[SiH](C)C.N=C=O.N=C=O.N=C=O.
What is the InChIKey of isocyanic acid;trimethylsilane?
The InChIKey is IQQLTJCLBCYUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10Si.3CHNO/c1-4(2)3;3*2-1-3/h4H,1-3H3;3*2H.
What are the key properties of isocyanic acid;trimethylsilane?
isocyanic acid;trimethylsilane has a molecular weight of 203.27 g/mol, XLogP of 0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;trimethylsilane is sourced from PubChem (CID 173041502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).