5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine

C15H16N6O — CID 122184941

IUPAC5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cn1
InChIInChI=1S/C15H16N6O/c16-13-4-3-11(10-17-13)14-18-15(20-6-8-22-9-7-20)12-2-1-5-21(12)19-14/h1-5,10H,6-9H2,(H2,16,17)
InChIKeyYBCPJPGLOVNLRF-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.21
Rot. Bonds2

About 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine

5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine (PubChem CID 122184941) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine
PubChem CID122184941
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cn1
InChIInChI=1S/C15H16N6O/c16-13-4-3-11(10-17-13)14-18-15(20-6-8-22-9-7-20)12-2-1-5-21(12)19-14/h1-5,10H,6-9H2,(H2,16,17)
InChIKeyYBCPJPGLOVNLRF-UHFFFAOYSA-N
XLogP1.21
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine?
The IUPAC name of 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine (CID 122184941) is 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine is Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cn1.
What is the InChIKey of 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine?
The InChIKey is YBCPJPGLOVNLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c16-13-4-3-11(10-17-13)14-18-15(20-6-8-22-9-7-20)12-2-1-5-21(12)19-14/h1-5,10H,6-9H2,(H2,16,17).
What are the key properties of 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine?
5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine has a molecular weight of 296.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine is sourced from PubChem (CID 122184941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).