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

C17H14BrF2N7 — CID 134608166

IUPAC5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCC(c1cn(-c2cc(F)ccc2F)nn1)c1cc(Br)c2c(N)ncnn12
InChIInChI=1S/C17H14BrF2N7/c1-2-10(14-6-11(18)16-17(21)22-8-23-27(14)16)13-7-26(25-24-13)15-5-9(19)3-4-12(15)20/h3-8,10H,2H2,1H3,(H2,21,22,23)
InChIKeyHPMVMOLRVUMPDM-UHFFFAOYSA-N
MW434.25 g/mol
LogP3.47
Rot. Bonds4

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

5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 134608166) has the molecular formula C17H14BrF2N7 and a molecular weight of 434.25 g/mol. Its IUPAC name is 5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID134608166
Molecular FormulaC17H14BrF2N7
Molecular Weight434.25 g/mol
Exact Mass433.05
IUPAC Name5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCC(c1cn(-c2cc(F)ccc2F)nn1)c1cc(Br)c2c(N)ncnn12
InChIInChI=1S/C17H14BrF2N7/c1-2-10(14-6-11(18)16-17(21)22-8-23-27(14)16)13-7-26(25-24-13)15-5-9(19)3-4-12(15)20/h3-8,10H,2H2,1H3,(H2,21,22,23)
InChIKeyHPMVMOLRVUMPDM-UHFFFAOYSA-N
XLogP3.47
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 134608166) is 5-bromo-7-[1-[1-(2,5-difluorophenyl)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-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CCC(c1cn(-c2cc(F)ccc2F)nn1)c1cc(Br)c2c(N)ncnn12.
What is the InChIKey of 5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is HPMVMOLRVUMPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2N7/c1-2-10(14-6-11(18)16-17(21)22-8-23-27(14)16)13-7-26(25-24-13)15-5-9(19)3-4-12(15)20/h3-8,10H,2H2,1H3,(H2,21,22,23).
What are the key properties of 5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-bromo-7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 434.25 g/mol, XLogP of 3.47, 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-(2,5-difluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 134608166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).