N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H10F4N6O — CID 126484426

IUPACN-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cnccc1Nc1nc(-c2cccc(OC(F)(F)F)n2)nn2cccc12
InChIInChI=1S/C17H10F4N6O/c18-10-9-22-7-6-11(10)24-16-13-4-2-8-27(13)26-15(25-16)12-3-1-5-14(23-12)28-17(19,20)21/h1-9H,(H,22,24,25,26)
InChIKeyLHWJTZDAIRKVJB-UHFFFAOYSA-N
MW390.30 g/mol
LogP3.97
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126484426) has the molecular formula C17H10F4N6O and a molecular weight of 390.30 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126484426
Molecular FormulaC17H10F4N6O
Molecular Weight390.30 g/mol
Exact Mass390.09
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cnccc1Nc1nc(-c2cccc(OC(F)(F)F)n2)nn2cccc12
InChIInChI=1S/C17H10F4N6O/c18-10-9-22-7-6-11(10)24-16-13-4-2-8-27(13)26-15(25-16)12-3-1-5-14(23-12)28-17(19,20)21/h1-9H,(H,22,24,25,26)
InChIKeyLHWJTZDAIRKVJB-UHFFFAOYSA-N
XLogP3.97
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126484426) is N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1cnccc1Nc1nc(-c2cccc(OC(F)(F)F)n2)nn2cccc12.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LHWJTZDAIRKVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N6O/c18-10-9-22-7-6-11(10)24-16-13-4-2-8-27(13)26-15(25-16)12-3-1-5-14(23-12)28-17(19,20)21/h1-9H,(H,22,24,25,26).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 390.30 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126484426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).