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

C13H9F3N4 — CID 169117082

IUPAC7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(-c3ccc(C(F)F)cc3)n2n1
InChIInChI=1S/C13H9F3N4/c14-9-5-10(20-11(9)6-18-13(17)19-20)7-1-3-8(4-2-7)12(15)16/h1-6,12H,(H2,17,19)
InChIKeyQNAISFJPCHNYLW-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.06
Rot. Bonds2

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

7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169117082) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169117082
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(-c3ccc(C(F)F)cc3)n2n1
InChIInChI=1S/C13H9F3N4/c14-9-5-10(20-11(9)6-18-13(17)19-20)7-1-3-8(4-2-7)12(15)16/h1-6,12H,(H2,17,19)
InChIKeyQNAISFJPCHNYLW-UHFFFAOYSA-N
XLogP3.06
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169117082) is 7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is Nc1ncc2c(F)cc(-c3ccc(C(F)F)cc3)n2n1.
What is the InChIKey of 7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is QNAISFJPCHNYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-9-5-10(20-11(9)6-18-13(17)19-20)7-1-3-8(4-2-7)12(15)16/h1-6,12H,(H2,17,19).
What are the key properties of 7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 278.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169117082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).