tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane

C20H27N3OSSi — CID 66712033

IUPACtert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane
SMILESCSc1ncc2ccc(-c3cccc(CO[Si](C)(C)C(C)(C)C)c3)n2n1
InChIInChI=1S/C20H27N3OSSi/c1-20(2,3)26(5,6)24-14-15-8-7-9-16(12-15)18-11-10-17-13-21-19(25-4)22-23(17)18/h7-13H,14H2,1-6H3
InChIKeyIXXIVWDPNFQFAK-UHFFFAOYSA-N
MW385.61 g/mol
LogP5.64
Rot. Bonds5

About tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane

tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane (PubChem CID 66712033) has the molecular formula C20H27N3OSSi and a molecular weight of 385.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane
PubChem CID66712033
Molecular FormulaC20H27N3OSSi
Molecular Weight385.61 g/mol
Exact Mass385.16
IUPAC Nametert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane
SMILESCSc1ncc2ccc(-c3cccc(CO[Si](C)(C)C(C)(C)C)c3)n2n1
InChIInChI=1S/C20H27N3OSSi/c1-20(2,3)26(5,6)24-14-15-8-7-9-16(12-15)18-11-10-17-13-21-19(25-4)22-23(17)18/h7-13H,14H2,1-6H3
InChIKeyIXXIVWDPNFQFAK-UHFFFAOYSA-N
XLogP5.64
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.61
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672925
[3-[3-[3-(Hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 126672904
6-Methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine
CID 155111006
2-(Methylsulfanyl)-7-phenylpyrrolo[2,1-f][1,2,4]triazine
CID 57416118
5-Bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58529953
(2-Methanesulfinyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl-methanol
CID 66711148
(2-Methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl-methanol
CID 66711729
CID 66712032
CID 66712032
CID 66712034
CID 66712034
CID 66712142
CID 66712142
Tert-butyl-dimethyl-[[3-(2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane
CID 66712143
CID 66712144
CID 66712144

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane (CID 66712033) is tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane is CSc1ncc2ccc(-c3cccc(CO[Si](C)(C)C(C)(C)C)c3)n2n1.
What is the InChIKey of tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane?
The InChIKey is IXXIVWDPNFQFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OSSi/c1-20(2,3)26(5,6)24-14-15-8-7-9-16(12-15)18-11-10-17-13-21-19(25-4)22-23(17)18/h7-13H,14H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane?
tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane has a molecular weight of 385.61 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane is sourced from PubChem (CID 66712033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).