7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C11H13BrN4Si — CID 140823285

IUPAC7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC[Si](C)(C)C#Cc1cc(Br)n2ncnc(N)c12
InChIInChI=1S/C11H13BrN4Si/c1-17(2,3)5-4-8-6-9(12)16-10(8)11(13)14-7-15-16/h6-7H,1-3H3,(H2,13,14,15)
InChIKeyFGHSKYDNMSQRAZ-UHFFFAOYSA-N
MW309.24 g/mol
LogP2.30
Rot. Bonds

About 7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 140823285) has the molecular formula C11H13BrN4Si and a molecular weight of 309.24 g/mol. Its IUPAC name is 7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID140823285
Molecular FormulaC11H13BrN4Si
Molecular Weight309.24 g/mol
Exact Mass308.01
IUPAC Name7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC[Si](C)(C)C#Cc1cc(Br)n2ncnc(N)c12
InChIInChI=1S/C11H13BrN4Si/c1-17(2,3)5-4-8-6-9(12)16-10(8)11(13)14-7-15-16/h6-7H,1-3H3,(H2,13,14,15)
InChIKeyFGHSKYDNMSQRAZ-UHFFFAOYSA-N
XLogP2.30
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 130362883
7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 145068521
[(2S,3S,5R)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3,4,4-trimethyloxolan-2-yl]methanol
CID 59185434
[(2S,3R,4S,5S)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol
CID 59185483
[(2S,3S,4R,5R)-5-[4-amino-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-azido-3,4-dimethyloxolan-2-yl]methanol
CID 59185504
5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 139349201
7-bromo-5-[(3,3-dimethylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 155252396
7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 155252882
7-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;deuterio(fluoro)methane
CID 161436110
6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine
CID 172555112
(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 124674969
7-bromoimidazo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 145368007

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 140823285) is 7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is C[Si](C)(C)C#Cc1cc(Br)n2ncnc(N)c12.
What is the InChIKey of 7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is FGHSKYDNMSQRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4Si/c1-17(2,3)5-4-8-6-9(12)16-10(8)11(13)14-7-15-16/h6-7H,1-3H3,(H2,13,14,15).
What are the key properties of 7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 309.24 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 140823285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).