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

C16H13F6N5O — CID 138562240

IUPAC2-[3-[4-amino-2-(trifluoromethyl)imidazo[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)nc(C(F)(F)F)nn12
InChIInChI=1S/C16H13F6N5O/c1-7-3-4-8(14(2,28)16(20,21)22)5-9(7)10-6-24-12-11(23)25-13(15(17,18)19)26-27(10)12/h3-6,28H,1-2H3,(H2,23,25,26)
InChIKeyBJNJKYWCLKUSIE-UHFFFAOYSA-N
MW405.30 g/mol
LogP3.47
Rot. Bonds2

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

2-[3-[4-amino-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138562240) has the molecular formula C16H13F6N5O and a molecular weight of 405.30 g/mol. Its IUPAC name is 2-[3-[4-amino-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[4-amino-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138562240
Molecular FormulaC16H13F6N5O
Molecular Weight405.30 g/mol
Exact Mass405.10
IUPAC Name2-[3-[4-amino-2-(trifluoromethyl)imidazo[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)nc(C(F)(F)F)nn12
InChIInChI=1S/C16H13F6N5O/c1-7-3-4-8(14(2,28)16(20,21)22)5-9(7)10-6-24-12-11(23)25-13(15(17,18)19)26-27(10)12/h3-6,28H,1-2H3,(H2,23,25,26)
InChIKeyBJNJKYWCLKUSIE-UHFFFAOYSA-N
XLogP3.47
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[4-amino-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol 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

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
[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-(6-Pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]methanol
CID 117769414
[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-amino-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-[4-amino-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 138562240) is 2-[3-[4-amino-2-(trifluoromethyl)imidazo[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-amino-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-[4-amino-2-(trifluoromethyl)imidazo[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)nc(C(F)(F)F)nn12.
What is the InChIKey of 2-[3-[4-amino-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is BJNJKYWCLKUSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N5O/c1-7-3-4-8(14(2,28)16(20,21)22)5-9(7)10-6-24-12-11(23)25-13(15(17,18)19)26-27(10)12/h3-6,28H,1-2H3,(H2,23,25,26).
What are the key properties of 2-[3-[4-amino-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-[4-amino-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 405.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-amino-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138562240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).