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

C14H13FN4O — CID 141191653

IUPAC1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol
SMILESCC(O)c1cc(-c2cccc(F)c2)c2c(N)ncnn12
InChIInChI=1S/C14H13FN4O/c1-8(20)12-6-11(9-3-2-4-10(15)5-9)13-14(16)17-7-18-19(12)13/h2-8,20H,1H3,(H2,16,17,18)
InChIKeyGNDYHPMDCKGSFY-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.17
Rot. Bonds2

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

1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol (PubChem CID 141191653) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol.

Molecular Properties

Compound Name1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol
PubChem CID141191653
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol
SMILESCC(O)c1cc(-c2cccc(F)c2)c2c(N)ncnn12
InChIInChI=1S/C14H13FN4O/c1-8(20)12-6-11(9-3-2-4-10(15)5-9)13-14(16)17-7-18-19(12)13/h2-8,20H,1H3,(H2,16,17,18)
InChIKeyGNDYHPMDCKGSFY-UHFFFAOYSA-N
XLogP2.17
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
(2R,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 118068894
(2R,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 118068895
[4-[6-(4-Fluorophenyl) imidazo[1,2-3]pyridazin-3-yl]phenyl] methanol
CID 135316116
4-[4-Amino-5-[4-(hydroxymethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]butan-1-ol
CID 71187424
[3-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711858
[4-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711860
[4-[6-[(3-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 122179543
(2S,3R,4R,5R)-2-(4-amino-5-fluoro-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
CID 25001249
(S)-2-(3-(4-(hydroxymethyl)phenyl)imidazo[1,2-b]pyridazin-6-ylamino)-3-methylbutan-1-ol
CID 44580312
(2-(Imidazo[1,2-b]pyridazin-3-yl)phenyl)methanol
CID 49790546
[4-[6-[(4-Fluorophenyl) methylamino] imidazo[1,2-b]pyridazin-3-yl]phenyl] methanol
CID 58857808

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol?
The IUPAC name of 1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol (CID 141191653) is 1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol.
What is the SMILES notation for 1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol?
The canonical SMILES for 1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol is CC(O)c1cc(-c2cccc(F)c2)c2c(N)ncnn12.
What is the InChIKey of 1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol?
The InChIKey is GNDYHPMDCKGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8(20)12-6-11(9-3-2-4-10(15)5-9)13-14(16)17-7-18-19(12)13/h2-8,20H,1H3,(H2,16,17,18).
What are the key properties of 1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol?
1-[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 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol is sourced from PubChem (CID 141191653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).