CID 66712034

C20H25N3OSSi — CID 66712034

IUPAC—
SMILESCSc1ncc2ccc(-c3cccc(C(C)(C)O[Si]C(C)(C)C)c3)n2n1
InChIInChI=1S/C20H25N3OSSi/c1-19(2,3)26-24-20(4,5)15-9-7-8-14(12-15)17-11-10-16-13-21-18(25-6)22-23(16)17/h7-13H,1-6H3
InChIKeyFFSQBOMEDGULLK-UHFFFAOYSA-N
MW383.59 g/mol
LogP5.21
Rot. Bonds5

About CID 66712034

CID 66712034 (PubChem CID 66712034) has the molecular formula C20H25N3OSSi and a molecular weight of 383.59 g/mol.

Molecular Properties

Compound NameCID 66712034
PubChem CID66712034
Molecular FormulaC20H25N3OSSi
Molecular Weight383.59 g/mol
Exact Mass383.15
IUPAC Name—
SMILESCSc1ncc2ccc(-c3cccc(C(C)(C)O[Si]C(C)(C)C)c3)n2n1
InChIInChI=1S/C20H25N3OSSi/c1-19(2,3)26-24-20(4,5)15-9-7-8-14(12-15)17-11-10-16-13-21-18(25-6)22-23(16)17/h7-13H,1-6H3
InChIKeyFFSQBOMEDGULLK-UHFFFAOYSA-N
XLogP5.21
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.59
LogP ≤ 55.21
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

2-(Methylsulfanyl)-7-phenylpyrrolo[2,1-f][1,2,4]triazine
CID 57416118
(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
Tert-butyl-dimethyl-[[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methoxy]silane
CID 66712033
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
7-(3-tert-Butoxymethyl-phenyl)-2-methanesulfonyl-pyrrolo[2,1-f][1,2,4]triazine
CID 66712170
[3-(2-Methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol
CID 66712309
7-(3-tert-Butoxymethyl-phenyl)-2-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazine
CID 66712666
CID 71134231
CID 71134231

Frequently Asked Questions

What is the IUPAC name of CID 66712034?
The IUPAC name of CID 66712034 (CID 66712034) is not available.
What is the SMILES notation for CID 66712034?
The canonical SMILES for CID 66712034 is CSc1ncc2ccc(-c3cccc(C(C)(C)O[Si]C(C)(C)C)c3)n2n1.
What is the InChIKey of CID 66712034?
The InChIKey is FFSQBOMEDGULLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OSSi/c1-19(2,3)26-24-20(4,5)15-9-7-8-14(12-15)17-11-10-16-13-21-18(25-6)22-23(16)17/h7-13H,1-6H3.
What are the key properties of CID 66712034?
CID 66712034 has a molecular weight of 383.59 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66712034 is sourced from PubChem (CID 66712034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).