5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H15BrFN7 — CID 134608184

IUPAC5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCC(c1cn(-c2ccccc2F)nn1)c1cc(Br)c2c(N)ncnn12
InChIInChI=1S/C17H15BrFN7/c1-2-10(15-7-11(18)16-17(20)21-9-22-26(15)16)13-8-25(24-23-13)14-6-4-3-5-12(14)19/h3-10H,2H2,1H3,(H2,20,21,22)
InChIKeyRYIAWHWAJFKTCY-UHFFFAOYSA-N
MW416.26 g/mol
LogP3.34
Rot. Bonds4

About 5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 134608184) has the molecular formula C17H15BrFN7 and a molecular weight of 416.26 g/mol. Its IUPAC name is 5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID134608184
Molecular FormulaC17H15BrFN7
Molecular Weight416.26 g/mol
Exact Mass415.06
IUPAC Name5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCC(c1cn(-c2ccccc2F)nn1)c1cc(Br)c2c(N)ncnn12
InChIInChI=1S/C17H15BrFN7/c1-2-10(15-7-11(18)16-17(20)21-9-22-26(15)16)13-8-25(24-23-13)14-6-4-3-5-12(14)19/h3-10H,2H2,1H3,(H2,20,21,22)
InChIKeyRYIAWHWAJFKTCY-UHFFFAOYSA-N
XLogP3.34
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 134608184) is 5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CCC(c1cn(-c2ccccc2F)nn1)c1cc(Br)c2c(N)ncnn12.
What is the InChIKey of 5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is RYIAWHWAJFKTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN7/c1-2-10(15-7-11(18)16-17(20)21-9-22-26(15)16)13-8-25(24-23-13)14-6-4-3-5-12(14)19/h3-10H,2H2,1H3,(H2,20,21,22).
What are the key properties of 5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 416.26 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 134608184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).