2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

C15H14F3N5O — CID 138562702

IUPAC2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)ncnn12
InChIInChI=1S/C15H14F3N5O/c1-8-3-4-9(14(2,24)15(16,17)18)5-10(8)11-6-20-13-12(19)21-7-22-23(11)13/h3-7,24H,1-2H3,(H2,19,21,22)
InChIKeyGLBUIWBQSOJXRJ-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.45
Rot. Bonds2

About 2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138562702) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138562702
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)ncnn12
InChIInChI=1S/C15H14F3N5O/c1-8-3-4-9(14(2,24)15(16,17)18)5-10(8)11-6-20-13-12(19)21-7-22-23(11)13/h3-7,24H,1-2H3,(H2,19,21,22)
InChIKeyGLBUIWBQSOJXRJ-UHFFFAOYSA-N
XLogP2.45
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-((1r,4r)-4-((3-(3-(Trifluoromethyl)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexyl)propan-2-ol
CID 66598080
[4-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672911
[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
[4-[6-[(3-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 122179543
(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
3-(6-(Methylamino)imidazo[1,2-b]pyridazin-3-yl)phenol
CID 52944340
[4-[6-[(4-Fluorophenyl) methylamino] imidazo[1,2-b]pyridazin-3-yl]phenyl] methanol
CID 58857808
[4-[3-(3-Pyridyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 90480158
[4-[3-[3-(Hydroxymethyl) phenyl]imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126672786
[4-[6-(3-Fluorophenyl) imidazo[1,2-b]pyridazin-3-yl]phenyl] methanol
CID 126672864

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 138562702) is 2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)ncnn12.
What is the InChIKey of 2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is GLBUIWBQSOJXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-8-3-4-9(14(2,24)15(16,17)18)5-10(8)11-6-20-13-12(19)21-7-22-23(11)13/h3-7,24H,1-2H3,(H2,19,21,22).
What are the key properties of 2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 337.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138562702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).