7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one

C19H25N3O2Si — CID 66711679

IUPAC7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-c2ccc3cnc(=O)[nH]n23)c1
InChIInChI=1S/C19H25N3O2Si/c1-19(2,3)25(4,5)24-13-14-7-6-8-15(11-14)17-10-9-16-12-20-18(23)21-22(16)17/h6-12H,13H2,1-5H3,(H,21,23)
InChIKeyKPSPNAJKNAWHGO-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.21
Rot. Bonds4

About 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one

7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one (PubChem CID 66711679) has the molecular formula C19H25N3O2Si and a molecular weight of 355.51 g/mol. Its IUPAC name is 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one.

Molecular Properties

Compound Name7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one
PubChem CID66711679
Molecular FormulaC19H25N3O2Si
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-c2ccc3cnc(=O)[nH]n23)c1
InChIInChI=1S/C19H25N3O2Si/c1-19(2,3)25(4,5)24-13-14-7-6-8-15(11-14)17-10-9-16-12-20-18(23)21-22(16)17/h6-12H,13H2,1-5H3,(H,21,23)
InChIKeyKPSPNAJKNAWHGO-UHFFFAOYSA-N
XLogP4.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one?
The IUPAC name of 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one (CID 66711679) is 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one.
What is the SMILES notation for 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one?
The canonical SMILES for 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one is CC(C)(C)[Si](C)(C)OCc1cccc(-c2ccc3cnc(=O)[nH]n23)c1.
What is the InChIKey of 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one?
The InChIKey is KPSPNAJKNAWHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2Si/c1-19(2,3)25(4,5)24-13-14-7-6-8-15(11-14)17-10-9-16-12-20-18(23)21-22(16)17/h6-12H,13H2,1-5H3,(H,21,23).
What are the key properties of 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one?
7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one has a molecular weight of 355.51 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one is sourced from PubChem (CID 66711679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).