7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid

C16H15F3N8O2 — CID 146544796

IUPAC7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)c1nc2ccc(-c3cnc4c(N)ncnn34)cn2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H14N8.C2HF3O2/c1-8(2)13-19-11-4-3-9(6-21(11)20-13)10-5-16-14-12(15)17-7-18-22(10)14;3-2(4,5)1(6)7/h3-8H,1-2H3,(H2,15,17,18);(H,6,7)
InChIKeyOKXIRFDUWOHRPB-UHFFFAOYSA-N
MW408.34 g/mol
LogP2.17
Rot. Bonds2

About 7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid

7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 146544796) has the molecular formula C16H15F3N8O2 and a molecular weight of 408.34 g/mol. Its IUPAC name is 7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID146544796
Molecular FormulaC16H15F3N8O2
Molecular Weight408.34 g/mol
Exact Mass408.13
IUPAC Name7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)c1nc2ccc(-c3cnc4c(N)ncnn34)cn2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H14N8.C2HF3O2/c1-8(2)13-19-11-4-3-9(6-21(11)20-13)10-5-16-14-12(15)17-7-18-22(10)14;3-2(4,5)1(6)7/h3-8H,1-2H3,(H2,15,17,18);(H,6,7)
InChIKeyOKXIRFDUWOHRPB-UHFFFAOYSA-N
XLogP2.17
TPSA136.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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Nelociguat
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US10399985, Example 8
CID 118278241
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
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US10399985, Example 30
CID 118278101
3-Methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278175
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204

Frequently Asked Questions

What is the IUPAC name of 7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid (CID 146544796) is 7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid is CC(C)c1nc2ccc(-c3cnc4c(N)ncnn34)cn2n1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is OKXIRFDUWOHRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8.C2HF3O2/c1-8(2)13-19-11-4-3-9(6-21(11)20-13)10-5-16-14-12(15)17-7-18-22(10)14;3-2(4,5)1(6)7/h3-8H,1-2H3,(H2,15,17,18);(H,6,7).
What are the key properties of 7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 408.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146544796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).