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

C19H25BrN4OSi — CID 58529953

IUPAC5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-c2cc(Br)c3c(N)ncnn23)c1
InChIInChI=1S/C19H25BrN4OSi/c1-19(2,3)26(4,5)25-11-13-7-6-8-14(9-13)16-10-15(20)17-18(21)22-12-23-24(16)17/h6-10,12H,11H2,1-5H3,(H2,21,22,23)
InChIKeyATUZEMLOJYVHTF-UHFFFAOYSA-N
MW433.43 g/mol
LogP5.26
Rot. Bonds4

About 5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 58529953) has the molecular formula C19H25BrN4OSi and a molecular weight of 433.43 g/mol. Its IUPAC name is 5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID58529953
Molecular FormulaC19H25BrN4OSi
Molecular Weight433.43 g/mol
Exact Mass432.10
IUPAC Name5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-c2cc(Br)c3c(N)ncnn23)c1
InChIInChI=1S/C19H25BrN4OSi/c1-19(2,3)26(4,5)25-11-13-7-6-8-14(9-13)16-10-15(20)17-18(21)22-12-23-24(16)17/h6-10,12H,11H2,1-5H3,(H2,21,22,23)
InChIKeyATUZEMLOJYVHTF-UHFFFAOYSA-N
XLogP5.26
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-Amino-5-[4-(hydroxymethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]butan-1-ol
CID 71187424
[4-(4-Amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol
CID 71187199
2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol
CID 151634728
2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(4-fluorophenyl)ethanol
CID 151764309
(3-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,6-difluorophenyl)methanol
CID 178392907
benzyl (3S)-3-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 58529403
7-(4-Benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58529514
(R)3-(4-Amino-5-bromo-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-piperidine-1-carboxylic acid benzyl ester
CID 58529693
[3-(4-Amino-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl]-methanol
CID 58529804
[3-(4-Amino-5-bromo-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl]methanol
CID 58529885
7-(4-{[Tert-butyl(dimethyl)silyl]oxy)butyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 59232090
5-Bromo-7-(4-{[tert-butyl(dimethyl)silyl]oxy}butyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 59232194

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 58529953) is 5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)(C)[Si](C)(C)OCc1cccc(-c2cc(Br)c3c(N)ncnn23)c1.
What is the InChIKey of 5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ATUZEMLOJYVHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4OSi/c1-19(2,3)26(4,5)25-11-13-7-6-8-14(9-13)16-10-15(20)17-18(21)22-12-23-24(16)17/h6-10,12H,11H2,1-5H3,(H2,21,22,23).
What are the key properties of 5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 433.43 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 58529953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).