1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine

C16H12F3N7O2 — CID 176769669

IUPAC1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nnc(Nc3ccn[nH]3)n3cncc23)c(OC(F)(F)F)c1
InChIInChI=1S/C16H12F3N7O2/c1-27-9-2-3-10(12(6-9)28-16(17,18)19)14-11-7-20-8-26(11)15(25-24-14)22-13-4-5-21-23-13/h2-8H,1H3,(H2,21,22,23,25)
InChIKeyZUMQQISNORVZHZ-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.17
Rot. Bonds5

About 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine

1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine (PubChem CID 176769669) has the molecular formula C16H12F3N7O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine
PubChem CID176769669
Molecular FormulaC16H12F3N7O2
Molecular Weight391.31 g/mol
Exact Mass391.10
IUPAC Name1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nnc(Nc3ccn[nH]3)n3cncc23)c(OC(F)(F)F)c1
InChIInChI=1S/C16H12F3N7O2/c1-27-9-2-3-10(12(6-9)28-16(17,18)19)14-11-7-20-8-26(11)15(25-24-14)22-13-4-5-21-23-13/h2-8H,1H3,(H2,21,22,23,25)
InChIKeyZUMQQISNORVZHZ-UHFFFAOYSA-N
XLogP3.17
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine?
The IUPAC name of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine (CID 176769669) is 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine.
What is the SMILES notation for 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine?
The canonical SMILES for 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine is COc1ccc(-c2nnc(Nc3ccn[nH]3)n3cncc23)c(OC(F)(F)F)c1.
What is the InChIKey of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine?
The InChIKey is ZUMQQISNORVZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N7O2/c1-27-9-2-3-10(12(6-9)28-16(17,18)19)14-11-7-20-8-26(11)15(25-24-14)22-13-4-5-21-23-13/h2-8H,1H3,(H2,21,22,23,25).
What are the key properties of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine?
1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine has a molecular weight of 391.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine is sourced from PubChem (CID 176769669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).