7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine

C12H7F3N4 — CID 169117005

IUPAC7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(-c3cccc(F)c3F)n2n1
InChIInChI=1S/C12H7F3N4/c13-7-3-1-2-6(11(7)15)9-4-8(14)10-5-17-12(16)18-19(9)10/h1-5H,(H2,16,18)
InChIKeyKJXCRBPYVNVUBV-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.40
Rot. Bonds1

About 7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine

7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169117005) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169117005
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(-c3cccc(F)c3F)n2n1
InChIInChI=1S/C12H7F3N4/c13-7-3-1-2-6(11(7)15)9-4-8(14)10-5-17-12(16)18-19(9)10/h1-5H,(H2,16,18)
InChIKeyKJXCRBPYVNVUBV-UHFFFAOYSA-N
XLogP2.40
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-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 7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169117005) is 7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is Nc1ncc2c(F)cc(-c3cccc(F)c3F)n2n1.
What is the InChIKey of 7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is KJXCRBPYVNVUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-7-3-1-2-6(11(7)15)9-4-8(14)10-5-17-12(16)18-19(9)10/h1-5H,(H2,16,18).
What are the key properties of 7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 264.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-difluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169117005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).