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

C14H15N7O — CID 122184939

IUPAC5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3cccn3n2)cn1
InChIInChI=1S/C14H15N7O/c15-14-16-8-10(9-17-14)12-18-13(20-4-6-22-7-5-20)11-2-1-3-21(11)19-12/h1-3,8-9H,4-7H2,(H2,15,16,17)
InChIKeyTZVBVILGONWWGN-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.61
Rot. Bonds2

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

5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine (PubChem CID 122184939) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine
PubChem CID122184939
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3cccn3n2)cn1
InChIInChI=1S/C14H15N7O/c15-14-16-8-10(9-17-14)12-18-13(20-4-6-22-7-5-20)11-2-1-3-21(11)19-12/h1-3,8-9H,4-7H2,(H2,15,16,17)
InChIKeyTZVBVILGONWWGN-UHFFFAOYSA-N
XLogP0.61
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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)pyrimidin-2-amine?
The IUPAC name of 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine (CID 122184939) is 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)c3cccn3n2)cn1.
What is the InChIKey of 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine?
The InChIKey is TZVBVILGONWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c15-14-16-8-10(9-17-14)12-18-13(20-4-6-22-7-5-20)11-2-1-3-21(11)19-12/h1-3,8-9H,4-7H2,(H2,15,16,17).
What are the key properties of 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine?
5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine has a molecular weight of 297.32 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 8 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)pyrimidin-2-amine is sourced from PubChem (CID 122184939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).