2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol

C14H13FN4O — CID 141191648

IUPAC2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol
SMILESNc1ncnn2c(CCO)cc(-c3cccc(F)c3)c12
InChIInChI=1S/C14H13FN4O/c15-10-3-1-2-9(6-10)12-7-11(4-5-20)19-13(12)14(16)17-8-18-19/h1-3,6-8,20H,4-5H2,(H2,16,17,18)
InChIKeyPLBKROSRSWJEHF-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.65
Rot. Bonds3

About 2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol

2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol (PubChem CID 141191648) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol.

Molecular Properties

Compound Name2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol
PubChem CID141191648
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol
SMILESNc1ncnn2c(CCO)cc(-c3cccc(F)c3)c12
InChIInChI=1S/C14H13FN4O/c15-10-3-1-2-9(6-10)12-7-11(4-5-20)19-13(12)14(16)17-8-18-19/h1-3,6-8,20H,4-5H2,(H2,16,17,18)
InChIKeyPLBKROSRSWJEHF-UHFFFAOYSA-N
XLogP1.65
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol?
The IUPAC name of 2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol (CID 141191648) is 2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol.
What is the SMILES notation for 2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol?
The canonical SMILES for 2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol is Nc1ncnn2c(CCO)cc(-c3cccc(F)c3)c12.
What is the InChIKey of 2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol?
The InChIKey is PLBKROSRSWJEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c15-10-3-1-2-9(6-10)12-7-11(4-5-20)19-13(12)14(16)17-8-18-19/h1-3,6-8,20H,4-5H2,(H2,16,17,18).
What are the key properties of 2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol?
2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol has a molecular weight of 272.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol is sourced from PubChem (CID 141191648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).