2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H14N6O — CID 126499902

IUPAC2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1
InChIInChI=1S/C17H14N6O/c1-24-15-6-2-4-13(20-15)16-21-17(14-5-3-11-23(14)22-16)19-12-7-9-18-10-8-12/h2-11H,1H3,(H,18,19,21,22)
InChIKeyUERWPTHXIGGIIS-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.94
Rot. Bonds4

About 2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126499902) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126499902
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1
InChIInChI=1S/C17H14N6O/c1-24-15-6-2-4-13(20-15)16-21-17(14-5-3-11-23(14)22-16)19-12-7-9-18-10-8-12/h2-11H,1H3,(H,18,19,21,22)
InChIKeyUERWPTHXIGGIIS-UHFFFAOYSA-N
XLogP2.94
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126499902) is 2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1.
What is the InChIKey of 2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is UERWPTHXIGGIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-24-15-6-2-4-13(20-15)16-21-17(14-5-3-11-23(14)22-16)19-12-7-9-18-10-8-12/h2-11H,1H3,(H,18,19,21,22).
What are the key properties of 2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 318.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126499902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).