5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C11H15FN4O — CID 144842923

IUPAC5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOC(C)CCc1cc(F)c2c(N)ncnn12
InChIInChI=1S/C11H15FN4O/c1-7(17-2)3-4-8-5-9(12)10-11(13)14-6-15-16(8)10/h5-7H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyBAZAZGXGVMLURK-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.42
Rot. Bonds4

About 5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 144842923) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID144842923
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOC(C)CCc1cc(F)c2c(N)ncnn12
InChIInChI=1S/C11H15FN4O/c1-7(17-2)3-4-8-5-9(12)10-11(13)14-6-15-16(8)10/h5-7H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyBAZAZGXGVMLURK-UHFFFAOYSA-N
XLogP1.42
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 144842923) is 5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COC(C)CCc1cc(F)c2c(N)ncnn12.
What is the InChIKey of 5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is BAZAZGXGVMLURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-7(17-2)3-4-8-5-9(12)10-11(13)14-6-15-16(8)10/h5-7H,3-4H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 238.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 144842923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).