6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C15H12BrF3N4 — CID 155686561

IUPAC6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC[C@@H](Nc1ncnn2cc(Br)cc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12BrF3N4/c1-9(10-3-2-4-11(5-10)15(17,18)19)22-14-13-6-12(16)7-23(13)21-8-20-14/h2-9H,1H3,(H,20,21,22)/t9-/m1/s1
InChIKeyQXWBFIDFPBXUSX-SECBINFHSA-N
MW385.19 g/mol
LogP4.68
Rot. Bonds3

About 6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155686561) has the molecular formula C15H12BrF3N4 and a molecular weight of 385.19 g/mol. Its IUPAC name is 6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155686561
Molecular FormulaC15H12BrF3N4
Molecular Weight385.19 g/mol
Exact Mass384.02
IUPAC Name6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC[C@@H](Nc1ncnn2cc(Br)cc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12BrF3N4/c1-9(10-3-2-4-11(5-10)15(17,18)19)22-14-13-6-12(16)7-23(13)21-8-20-14/h2-9H,1H3,(H,20,21,22)/t9-/m1/s1
InChIKeyQXWBFIDFPBXUSX-SECBINFHSA-N
XLogP4.68
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.19
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]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 6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 155686561) is 6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is C[C@@H](Nc1ncnn2cc(Br)cc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is QXWBFIDFPBXUSX-SECBINFHSA-N. The full InChI is InChI=1S/C15H12BrF3N4/c1-9(10-3-2-4-11(5-10)15(17,18)19)22-14-13-6-12(16)7-23(13)21-8-20-14/h2-9H,1H3,(H,20,21,22)/t9-/m1/s1.
What are the key properties of 6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 385.19 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155686561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).