7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine

C12H8F3N5 — CID 169117956

IUPAC7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(-c3cccc(C(F)F)n3)n2n1
InChIInChI=1S/C12H8F3N5/c13-6-4-9(20-10(6)5-17-12(16)19-20)7-2-1-3-8(18-7)11(14)15/h1-5,11H,(H2,16,19)
InChIKeyVPSJGMZQVSHBQD-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.45
Rot. Bonds2

About 7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine

7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169117956) has the molecular formula C12H8F3N5 and a molecular weight of 279.23 g/mol. Its IUPAC name is 7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169117956
Molecular FormulaC12H8F3N5
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(-c3cccc(C(F)F)n3)n2n1
InChIInChI=1S/C12H8F3N5/c13-6-4-9(20-10(6)5-17-12(16)19-20)7-2-1-3-8(18-7)11(14)15/h1-5,11H,(H2,16,19)
InChIKeyVPSJGMZQVSHBQD-UHFFFAOYSA-N
XLogP2.45
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169117956) is 7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is Nc1ncc2c(F)cc(-c3cccc(C(F)F)n3)n2n1.
What is the InChIKey of 7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is VPSJGMZQVSHBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5/c13-6-4-9(20-10(6)5-17-12(16)19-20)7-2-1-3-8(18-7)11(14)15/h1-5,11H,(H2,16,19).
What are the key properties of 7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 279.23 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(difluoromethyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169117956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).