tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane

C14H22ClN5OSi — CID 167435892

IUPACtert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane
SMILESCn1nc(CO[Si](C)(C)C(C)(C)C)nc1-c1ccnc(Cl)n1
InChIInChI=1S/C14H22ClN5OSi/c1-14(2,3)22(5,6)21-9-11-18-12(20(4)19-11)10-7-8-16-13(15)17-10/h7-8H,9H2,1-6H3
InChIKeySUWVNABKQDCPQQ-UHFFFAOYSA-N
MW339.90 g/mol
LogP3.45
Rot. Bonds4

About tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane

tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane (PubChem CID 167435892) has the molecular formula C14H22ClN5OSi and a molecular weight of 339.90 g/mol. Its IUPAC name is tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane
PubChem CID167435892
Molecular FormulaC14H22ClN5OSi
Molecular Weight339.90 g/mol
Exact Mass339.13
IUPAC Nametert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane
SMILESCn1nc(CO[Si](C)(C)C(C)(C)C)nc1-c1ccnc(Cl)n1
InChIInChI=1S/C14H22ClN5OSi/c1-14(2,3)22(5,6)21-9-11-18-12(20(4)19-11)10-7-8-16-13(15)17-10/h7-8H,9H2,1-6H3
InChIKeySUWVNABKQDCPQQ-UHFFFAOYSA-N
XLogP3.45
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.90
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane (CID 167435892) is tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane is Cn1nc(CO[Si](C)(C)C(C)(C)C)nc1-c1ccnc(Cl)n1.
What is the InChIKey of tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane?
The InChIKey is SUWVNABKQDCPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5OSi/c1-14(2,3)22(5,6)21-9-11-18-12(20(4)19-11)10-7-8-16-13(15)17-10/h7-8H,9H2,1-6H3.
What are the key properties of tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane?
tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane has a molecular weight of 339.90 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 167435892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).