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

C19H15FN6O — CID 126484313

IUPAC6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=Cc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1
InChIInChI=1S/C19H15FN6O/c1-3-12-9-16-19(23-14-7-8-21-10-13(14)20)24-18(25-26(16)11-12)15-5-4-6-17(22-15)27-2/h3-11H,1H2,2H3,(H,21,23,24,25)
InChIKeyAGMPKXGEDJGLJF-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.72
Rot. Bonds5

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

6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126484313) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126484313
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=Cc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1
InChIInChI=1S/C19H15FN6O/c1-3-12-9-16-19(23-14-7-8-21-10-13(14)20)24-18(25-26(16)11-12)15-5-4-6-17(22-15)27-2/h3-11H,1H2,2H3,(H,21,23,24,25)
InChIKeyAGMPKXGEDJGLJF-UHFFFAOYSA-N
XLogP3.72
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126484313) is 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is C=Cc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1.
What is the InChIKey of 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is AGMPKXGEDJGLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c1-3-12-9-16-19(23-14-7-8-21-10-13(14)20)24-18(25-26(16)11-12)15-5-4-6-17(22-15)27-2/h3-11H,1H2,2H3,(H,21,23,24,25).
What are the key properties of 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 362.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126484313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).