6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C11H7BrClFN4O — CID 178114315

IUPAC6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1c(Br)cn2nc(Cl)nc(NCc3ccco3)c12
InChIInChI=1S/C11H7BrClFN4O/c12-7-5-18-9(8(7)14)10(16-11(13)17-18)15-4-6-2-1-3-19-6/h1-3,5H,4H2,(H,15,16,17)
InChIKeyGUWYVKGPSPVBJM-UHFFFAOYSA-N
MW345.56 g/mol
LogP3.49
Rot. Bonds3

About 6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 178114315) has the molecular formula C11H7BrClFN4O and a molecular weight of 345.56 g/mol. Its IUPAC name is 6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID178114315
Molecular FormulaC11H7BrClFN4O
Molecular Weight345.56 g/mol
Exact Mass343.95
IUPAC Name6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1c(Br)cn2nc(Cl)nc(NCc3ccco3)c12
InChIInChI=1S/C11H7BrClFN4O/c12-7-5-18-9(8(7)14)10(16-11(13)17-18)15-4-6-2-1-3-19-6/h1-3,5H,4H2,(H,15,16,17)
InChIKeyGUWYVKGPSPVBJM-UHFFFAOYSA-N
XLogP3.49
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 178114315) is 6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1c(Br)cn2nc(Cl)nc(NCc3ccco3)c12.
What is the InChIKey of 6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is GUWYVKGPSPVBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN4O/c12-7-5-18-9(8(7)14)10(16-11(13)17-18)15-4-6-2-1-3-19-6/h1-3,5H,4H2,(H,15,16,17).
What are the key properties of 6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 345.56 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 178114315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).