5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine

C11H14FN5 — CID 169117038

IUPAC5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(N3CCCCC3)n2n1
InChIInChI=1S/C11H14FN5/c12-8-6-10(16-4-2-1-3-5-16)17-9(8)7-14-11(13)15-17/h6-7H,1-5H2,(H2,13,15)
InChIKeyXZDWRWLFIWCRQZ-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.44
Rot. Bonds1

About 5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine

5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169117038) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169117038
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(N3CCCCC3)n2n1
InChIInChI=1S/C11H14FN5/c12-8-6-10(16-4-2-1-3-5-16)17-9(8)7-14-11(13)15-17/h6-7H,1-5H2,(H2,13,15)
InChIKeyXZDWRWLFIWCRQZ-UHFFFAOYSA-N
XLogP1.44
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169117038) is 5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine is Nc1ncc2c(F)cc(N3CCCCC3)n2n1.
What is the InChIKey of 5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is XZDWRWLFIWCRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c12-8-6-10(16-4-2-1-3-5-16)17-9(8)7-14-11(13)15-17/h6-7H,1-5H2,(H2,13,15).
What are the key properties of 5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 235.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169117038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).