CID 66712142

C20H26N3O3SSi — CID 66712142

IUPAC—
SMILESC[Si](C)OC(c1cccc(-c2ccc3cnc(S(C)(=O)=O)nn23)c1)C(C)(C)C
InChIInChI=1S/C20H26N3O3SSi/c1-20(2,3)18(26-28(5)6)15-9-7-8-14(12-15)17-11-10-16-13-21-19(22-23(16)17)27(4,24)25/h7-13,18H,1-6H3
InChIKeyZRCVKQKFEZWLIW-UHFFFAOYSA-N
MW416.60 g/mol
LogP4.15
Rot. Bonds5

About CID 66712142

CID 66712142 (PubChem CID 66712142) has the molecular formula C20H26N3O3SSi and a molecular weight of 416.60 g/mol.

Molecular Properties

Compound NameCID 66712142
PubChem CID66712142
Molecular FormulaC20H26N3O3SSi
Molecular Weight416.60 g/mol
Exact Mass416.15
IUPAC Name—
SMILESC[Si](C)OC(c1cccc(-c2ccc3cnc(S(C)(=O)=O)nn23)c1)C(C)(C)C
InChIInChI=1S/C20H26N3O3SSi/c1-20(2,3)18(26-28(5)6)15-9-7-8-14(12-15)17-11-10-16-13-21-19(22-23(16)17)27(4,24)25/h7-13,18H,1-6H3
InChIKeyZRCVKQKFEZWLIW-UHFFFAOYSA-N
XLogP4.15
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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 66712034
CID 66712034
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
N-[3-(2-methanesulfinyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-benzyl]-N-methyl-methanesulfonamide
CID 66712241
[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
[3-[4-[2-[(Dimethylamino)methyl]morpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]methyl methanesulfonate
CID 117988028

Frequently Asked Questions

What is the IUPAC name of CID 66712142?
The IUPAC name of CID 66712142 (CID 66712142) is not available.
What is the SMILES notation for CID 66712142?
The canonical SMILES for CID 66712142 is C[Si](C)OC(c1cccc(-c2ccc3cnc(S(C)(=O)=O)nn23)c1)C(C)(C)C.
What is the InChIKey of CID 66712142?
The InChIKey is ZRCVKQKFEZWLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N3O3SSi/c1-20(2,3)18(26-28(5)6)15-9-7-8-14(12-15)17-11-10-16-13-21-19(22-23(16)17)27(4,24)25/h7-13,18H,1-6H3.
What are the key properties of CID 66712142?
CID 66712142 has a molecular weight of 416.60 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66712142 is sourced from PubChem (CID 66712142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).