4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile

C7H4BrN5 — CID 130362883

IUPAC4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
SMILESN#Cc1cc(Br)n2ncnc(N)c12
InChIInChI=1S/C7H4BrN5/c8-5-1-4(2-9)6-7(10)11-3-12-13(5)6/h1,3H,(H2,10,11,12)
InChIKeyWFKRKOJIGRGHLX-UHFFFAOYSA-N
MW238.05 g/mol
LogP0.95
Rot. Bonds

About 4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile

4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile (PubChem CID 130362883) has the molecular formula C7H4BrN5 and a molecular weight of 238.05 g/mol. Its IUPAC name is 4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
PubChem CID130362883
Molecular FormulaC7H4BrN5
Molecular Weight238.05 g/mol
Exact Mass236.97
IUPAC Name4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
SMILESN#Cc1cc(Br)n2ncnc(N)c12
InChIInChI=1S/C7H4BrN5/c8-5-1-4(2-9)6-7(10)11-3-12-13(5)6/h1,3H,(H2,10,11,12)
InChIKeyWFKRKOJIGRGHLX-UHFFFAOYSA-N
XLogP0.95
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 140823285
7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 145068521
5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 139349201
7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 155252882
4-amino-7-[(1R,2R,3R)-2,3,4-trihydroxy-1-methoxy-2-methylbutyl]pyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 173483151
7-bromo-5-[(3,3-dimethylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 155252396
7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 170985982
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
(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 124674969
7-[3-(4-acetyl-3,3-dimethyl-2-oxopiperazin-1-yl)-4-methylphenyl]-4-aminopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 130363530
7-bromoimidazo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 145368007
6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 171535817

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile?
The IUPAC name of 4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile (CID 130362883) is 4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile.
What is the SMILES notation for 4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile?
The canonical SMILES for 4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile is N#Cc1cc(Br)n2ncnc(N)c12.
What is the InChIKey of 4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile?
The InChIKey is WFKRKOJIGRGHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN5/c8-5-1-4(2-9)6-7(10)11-3-12-13(5)6/h1,3H,(H2,10,11,12).
What are the key properties of 4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile?
4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile has a molecular weight of 238.05 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile is sourced from PubChem (CID 130362883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).