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

C16H15F4N5O — CID 138562650

IUPAC2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol
SMILESCc1nc(N)c2ncc(-c3cc(C(O)(C(F)F)C(F)F)ccc3C)n2n1
InChIInChI=1S/C16H15F4N5O/c1-7-3-4-9(16(26,14(17)18)15(19)20)5-10(7)11-6-22-13-12(21)23-8(2)24-25(11)13/h3-6,14-15,26H,1-2H3,(H2,21,23,24)
InChIKeyJALOPYVZEQSWHY-UHFFFAOYSA-N
MW369.32 g/mol
LogP2.71
Rot. Bonds4

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

2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol (PubChem CID 138562650) has the molecular formula C16H15F4N5O and a molecular weight of 369.32 g/mol. Its IUPAC name is 2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol
PubChem CID138562650
Molecular FormulaC16H15F4N5O
Molecular Weight369.32 g/mol
Exact Mass369.12
IUPAC Name2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol
SMILESCc1nc(N)c2ncc(-c3cc(C(O)(C(F)F)C(F)F)ccc3C)n2n1
InChIInChI=1S/C16H15F4N5O/c1-7-3-4-9(16(26,14(17)18)15(19)20)5-10(7)11-6-22-13-12(21)23-8(2)24-25(11)13/h3-6,14-15,26H,1-2H3,(H2,21,23,24)
InChIKeyJALOPYVZEQSWHY-UHFFFAOYSA-N
XLogP2.71
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.71
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
[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-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol?
The IUPAC name of 2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol (CID 138562650) is 2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-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]-1,1,3,3-tetrafluoropropan-2-ol?
The canonical SMILES for 2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol is Cc1nc(N)c2ncc(-c3cc(C(O)(C(F)F)C(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]-1,1,3,3-tetrafluoropropan-2-ol?
The InChIKey is JALOPYVZEQSWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N5O/c1-7-3-4-9(16(26,14(17)18)15(19)20)5-10(7)11-6-22-13-12(21)23-8(2)24-25(11)13/h3-6,14-15,26H,1-2H3,(H2,21,23,24).
What are the key properties of 2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol?
2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol has a molecular weight of 369.32 g/mol, XLogP of 2.71, 4 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]-1,1,3,3-tetrafluoropropan-2-ol is sourced from PubChem (CID 138562650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).