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

C19H17FN6O — CID 126484310

IUPAC6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1
InChIInChI=1S/C19H17FN6O/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/h4-11H,3H2,1-2H3,(H,21,23,24,25)
InChIKeyCZUNBUWXQDQTQD-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.64
Rot. Bonds5

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

6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126484310) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126484310
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1
InChIInChI=1S/C19H17FN6O/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/h4-11H,3H2,1-2H3,(H,21,23,24,25)
InChIKeyCZUNBUWXQDQTQD-UHFFFAOYSA-N
XLogP3.64
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-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-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126484310) is 6-ethyl-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-ethyl-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-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is CCc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1.
What is the InChIKey of 6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is CZUNBUWXQDQTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/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/h4-11H,3H2,1-2H3,(H,21,23,24,25).
What are the key properties of 6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-ethyl-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 364.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-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 126484310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).