5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

C12H7F4N5 — CID 169116945

IUPAC5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(-c3ccc(C(F)(F)F)cn3)n2n1
InChIInChI=1S/C12H7F4N5/c13-7-3-9(21-10(7)5-19-11(17)20-21)8-2-1-6(4-18-8)12(14,15)16/h1-5H,(H2,17,20)
InChIKeyRIHKMDACOSRFEU-UHFFFAOYSA-N
MW297.22 g/mol
LogP2.53
Rot. Bonds1

About 5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169116945) has the molecular formula C12H7F4N5 and a molecular weight of 297.22 g/mol. Its IUPAC name is 5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169116945
Molecular FormulaC12H7F4N5
Molecular Weight297.22 g/mol
Exact Mass297.06
IUPAC Name5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(-c3ccc(C(F)(F)F)cn3)n2n1
InChIInChI=1S/C12H7F4N5/c13-7-3-9(21-10(7)5-19-11(17)20-21)8-2-1-6(4-18-8)12(14,15)16/h1-5H,(H2,17,20)
InChIKeyRIHKMDACOSRFEU-UHFFFAOYSA-N
XLogP2.53
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169116945) is 5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is Nc1ncc2c(F)cc(-c3ccc(C(F)(F)F)cn3)n2n1.
What is the InChIKey of 5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is RIHKMDACOSRFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N5/c13-7-3-9(21-10(7)5-19-11(17)20-21)8-2-1-6(4-18-8)12(14,15)16/h1-5H,(H2,17,20).
What are the key properties of 5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 297.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169116945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).