1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol

C18H24Cl2N4O2Si — CID 170550480

IUPAC1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(-n2ccc3c(O)cc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C18H24Cl2N4O2Si/c1-18(2,3)27(4,5)26-9-8-23-11-15(21-22-23)24-7-6-12-14(25)10-13(19)16(20)17(12)24/h6-7,10-11,25H,8-9H2,1-5H3
InChIKeyDJWXSYXRLHUTJQ-UHFFFAOYSA-N
MW427.41 g/mol
LogP5.26
Rot. Bonds5

About 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol

1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol (PubChem CID 170550480) has the molecular formula C18H24Cl2N4O2Si and a molecular weight of 427.41 g/mol. Its IUPAC name is 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol.

Molecular Properties

Compound Name1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol
PubChem CID170550480
Molecular FormulaC18H24Cl2N4O2Si
Molecular Weight427.41 g/mol
Exact Mass426.10
IUPAC Name1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(-n2ccc3c(O)cc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C18H24Cl2N4O2Si/c1-18(2,3)27(4,5)26-9-8-23-11-15(21-22-23)24-7-6-12-14(25)10-13(19)16(20)17(12)24/h6-7,10-11,25H,8-9H2,1-5H3
InChIKeyDJWXSYXRLHUTJQ-UHFFFAOYSA-N
XLogP5.26
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-Bromo-6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]indol-4-yl]oxyacetonitrile
CID 170426857
Tert-butyl-[2-[4-(6-chloro-3-iodo-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550395
Tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550482
Tert-butyl-[2-[4-(6,7-dichloro-4-phenylmethoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550512
2-[1-[1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-yl]oxyacetonitrile
CID 170550515
CID 170609918
CID 170609918
CID 170609919
CID 170609919

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol?
The IUPAC name of 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol (CID 170550480) is 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol.
What is the SMILES notation for 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol?
The canonical SMILES for 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol is CC(C)(C)[Si](C)(C)OCCn1cc(-n2ccc3c(O)cc(Cl)c(Cl)c32)nn1.
What is the InChIKey of 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol?
The InChIKey is DJWXSYXRLHUTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N4O2Si/c1-18(2,3)27(4,5)26-9-8-23-11-15(21-22-23)24-7-6-12-14(25)10-13(19)16(20)17(12)24/h6-7,10-11,25H,8-9H2,1-5H3.
What are the key properties of 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol?
1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol has a molecular weight of 427.41 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol is sourced from PubChem (CID 170550480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).