1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine

C20H17F3N6O2 — CID 169154223

IUPAC1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nnc(N[C@H](C)c3cccnc3)n3cncc23)c(OC(F)(F)F)c1
InChIInChI=1S/C20H17F3N6O2/c1-12(13-4-3-7-24-9-13)26-19-28-27-18(16-10-25-11-29(16)19)15-6-5-14(30-2)8-17(15)31-20(21,22)23/h3-12H,1-2H3,(H,26,28)/t12-/m1/s1
InChIKeyBJIZMHFBLZBPSY-GFCCVEGCSA-N
MW430.39 g/mol
LogP4.27
Rot. Bonds6

About 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine

1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine (PubChem CID 169154223) has the molecular formula C20H17F3N6O2 and a molecular weight of 430.39 g/mol. Its IUPAC name is 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine
PubChem CID169154223
Molecular FormulaC20H17F3N6O2
Molecular Weight430.39 g/mol
Exact Mass430.14
IUPAC Name1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nnc(N[C@H](C)c3cccnc3)n3cncc23)c(OC(F)(F)F)c1
InChIInChI=1S/C20H17F3N6O2/c1-12(13-4-3-7-24-9-13)26-19-28-27-18(16-10-25-11-29(16)19)15-6-5-14(30-2)8-17(15)31-20(21,22)23/h3-12H,1-2H3,(H,26,28)/t12-/m1/s1
InChIKeyBJIZMHFBLZBPSY-GFCCVEGCSA-N
XLogP4.27
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The IUPAC name of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine (CID 169154223) is 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine.
What is the SMILES notation for 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The canonical SMILES for 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine is COc1ccc(-c2nnc(N[C@H](C)c3cccnc3)n3cncc23)c(OC(F)(F)F)c1.
What is the InChIKey of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The InChIKey is BJIZMHFBLZBPSY-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17F3N6O2/c1-12(13-4-3-7-24-9-13)26-19-28-27-18(16-10-25-11-29(16)19)15-6-5-14(30-2)8-17(15)31-20(21,22)23/h3-12H,1-2H3,(H,26,28)/t12-/m1/s1.
What are the key properties of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine has a molecular weight of 430.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]imidazo[1,5-d][1,2,4]triazin-4-amine is sourced from PubChem (CID 169154223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).