8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine

C14H10F4N4O — CID 169154236

IUPAC8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nnc(N)n3ccc(F)c23)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F4N4O/c1-23-7-2-3-8(9(6-7)14(16,17)18)11-12-10(15)4-5-22(12)13(19)21-20-11/h2-6H,1H3,(H2,19,21)
InChIKeyYOOPNJHIUGQCHT-UHFFFAOYSA-N
MW326.25 g/mol
LogP3.14
Rot. Bonds2

About 8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine

8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine (PubChem CID 169154236) has the molecular formula C14H10F4N4O and a molecular weight of 326.25 g/mol. Its IUPAC name is 8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine
PubChem CID169154236
Molecular FormulaC14H10F4N4O
Molecular Weight326.25 g/mol
Exact Mass326.08
IUPAC Name8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nnc(N)n3ccc(F)c23)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F4N4O/c1-23-7-2-3-8(9(6-7)14(16,17)18)11-12-10(15)4-5-22(12)13(19)21-20-11/h2-6H,1H3,(H2,19,21)
InChIKeyYOOPNJHIUGQCHT-UHFFFAOYSA-N
XLogP3.14
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine?
The IUPAC name of 8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine (CID 169154236) is 8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine.
What is the SMILES notation for 8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine?
The canonical SMILES for 8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine is COc1ccc(-c2nnc(N)n3ccc(F)c23)c(C(F)(F)F)c1.
What is the InChIKey of 8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine?
The InChIKey is YOOPNJHIUGQCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N4O/c1-23-7-2-3-8(9(6-7)14(16,17)18)11-12-10(15)4-5-22(12)13(19)21-20-11/h2-6H,1H3,(H2,19,21).
What are the key properties of 8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine?
8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine has a molecular weight of 326.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine is sourced from PubChem (CID 169154236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).