N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H11F3N6 — CID 126499699

IUPACN-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFC(F)(F)c1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1
InChIInChI=1S/C17H11F3N6/c18-17(19,20)14-5-1-3-12(23-14)15-24-16(13-4-2-10-26(13)25-15)22-11-6-8-21-9-7-11/h1-10H,(H,21,22,24,25)
InChIKeyXAYJYEKCJLSWSF-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.95
Rot. Bonds3

About N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126499699) has the molecular formula C17H11F3N6 and a molecular weight of 356.31 g/mol. Its IUPAC name is N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126499699
Molecular FormulaC17H11F3N6
Molecular Weight356.31 g/mol
Exact Mass356.10
IUPAC NameN-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFC(F)(F)c1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1
InChIInChI=1S/C17H11F3N6/c18-17(19,20)14-5-1-3-12(23-14)15-24-16(13-4-2-10-26(13)25-15)22-11-6-8-21-9-7-11/h1-10H,(H,21,22,24,25)
InChIKeyXAYJYEKCJLSWSF-UHFFFAOYSA-N
XLogP3.95
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126499699) is N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is FC(F)(F)c1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1.
What is the InChIKey of N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is XAYJYEKCJLSWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6/c18-17(19,20)14-5-1-3-12(23-14)15-24-16(13-4-2-10-26(13)25-15)22-11-6-8-21-9-7-11/h1-10H,(H,21,22,24,25).
What are the key properties of N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 356.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126499699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).