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

C16H16F3N5O — CID 138562529

IUPAC2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(N)c2ncc(-c3cc(C(C)(O)C(F)(F)F)ccc3C)n2n1
InChIInChI=1S/C16H16F3N5O/c1-8-4-5-10(15(3,25)16(17,18)19)6-11(8)12-7-21-14-13(20)22-9(2)23-24(12)14/h4-7,25H,1-3H3,(H2,20,22,23)
InChIKeyVJZYVVSHLIZKAL-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.76
Rot. Bonds2

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

2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138562529) has the molecular formula C16H16F3N5O and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-[3-(4-amino-2-methylimidazo[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-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138562529
Molecular FormulaC16H16F3N5O
Molecular Weight351.33 g/mol
Exact Mass351.13
IUPAC Name2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(N)c2ncc(-c3cc(C(C)(O)C(F)(F)F)ccc3C)n2n1
InChIInChI=1S/C16H16F3N5O/c1-8-4-5-10(15(3,25)16(17,18)19)6-11(8)12-7-21-14-13(20)22-9(2)23-24(12)14/h4-7,25H,1-3H3,(H2,20,22,23)
InChIKeyVJZYVVSHLIZKAL-UHFFFAOYSA-N
XLogP2.76
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.76
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
3-[6-(Propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 57418692
[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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-amino-2-methylimidazo[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-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 138562529) is 2-[3-(4-amino-2-methylimidazo[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-methylimidazo[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-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is Cc1nc(N)c2ncc(-c3cc(C(C)(O)C(F)(F)F)ccc3C)n2n1.
What is the InChIKey of 2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is VJZYVVSHLIZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O/c1-8-4-5-10(15(3,25)16(17,18)19)6-11(8)12-7-21-14-13(20)22-9(2)23-24(12)14/h4-7,25H,1-3H3,(H2,20,22,23).
What are the key properties of 2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 351.33 g/mol, XLogP of 2.76, 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-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138562529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).