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

C15H14F3N7O — CID 122184940

IUPAC5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3cccn3n2)c(C(F)(F)F)n1
InChIInChI=1S/C15H14F3N7O/c16-15(17,18)11-9(8-20-14(19)21-11)12-22-13(24-4-6-26-7-5-24)10-2-1-3-25(10)23-12/h1-3,8H,4-7H2,(H2,19,20,21)
InChIKeyGMDAYMOKKYAXNN-UHFFFAOYSA-N
MW365.32 g/mol
LogP1.62
Rot. Bonds2

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

5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 122184940) has the molecular formula C15H14F3N7O and a molecular weight of 365.32 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID122184940
Molecular FormulaC15H14F3N7O
Molecular Weight365.32 g/mol
Exact Mass365.12
IUPAC Name5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3cccn3n2)c(C(F)(F)F)n1
InChIInChI=1S/C15H14F3N7O/c16-15(17,18)11-9(8-20-14(19)21-11)12-22-13(24-4-6-26-7-5-24)10-2-1-3-25(10)23-12/h1-3,8H,4-7H2,(H2,19,20,21)
InChIKeyGMDAYMOKKYAXNN-UHFFFAOYSA-N
XLogP1.62
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 51.62
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)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 122184940) is 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)c3cccn3n2)c(C(F)(F)F)n1.
What is the InChIKey of 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GMDAYMOKKYAXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O/c16-15(17,18)11-9(8-20-14(19)21-11)12-22-13(24-4-6-26-7-5-24)10-2-1-3-25(10)23-12/h1-3,8H,4-7H2,(H2,19,20,21).
What are the key properties of 5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 365.32 g/mol, XLogP of 1.62, 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)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 122184940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).