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

C18H16F7N5O3 — CID 138619339

IUPAC2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCc1nc(N)c2ncc(-c3cc(C(O)(C(F)F)C(F)F)ccc3C)n2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H15F4N5O.C2HF3O2/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;3-2(4,5)1(6)7/h3-6,14-15,26H,1-2H3,(H2,21,23,24);(H,6,7)
InChIKeyYXAPPZXRLNJCBK-UHFFFAOYSA-N
MW483.34 g/mol
LogP3.34
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;2,2,2-trifluoroacetic acid

2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 138619339) has the molecular formula C18H16F7N5O3 and a molecular weight of 483.34 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;2,2,2-trifluoroacetic acid.

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;2,2,2-trifluoroacetic acid
PubChem CID138619339
Molecular FormulaC18H16F7N5O3
Molecular Weight483.34 g/mol
Exact Mass483.11
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;2,2,2-trifluoroacetic acid
SMILESCc1nc(N)c2ncc(-c3cc(C(O)(C(F)F)C(F)F)ccc3C)n2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H15F4N5O.C2HF3O2/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;3-2(4,5)1(6)7/h3-6,14-15,26H,1-2H3,(H2,21,23,24);(H,6,7)
InChIKeyYXAPPZXRLNJCBK-UHFFFAOYSA-N
XLogP3.34
TPSA126.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.34
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid (CID 138619339) 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;2,2,2-trifluoroacetic acid.
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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid is Cc1nc(N)c2ncc(-c3cc(C(O)(C(F)F)C(F)F)ccc3C)n2n1.O=C(O)C(F)(F)F.
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;2,2,2-trifluoroacetic acid?
The InChIKey is YXAPPZXRLNJCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N5O.C2HF3O2/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;3-2(4,5)1(6)7/h3-6,14-15,26H,1-2H3,(H2,21,23,24);(H,6,7).
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;2,2,2-trifluoroacetic acid?
2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 483.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 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;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138619339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).