5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H17F2N5O — CID 141441545

IUPAC5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(CN3CCOCC3)cc(-c3cc(F)cc(F)c3)c12
InChIInChI=1S/C17H17F2N5O/c18-12-5-11(6-13(19)7-12)15-8-14(9-23-1-3-25-4-2-23)24-16(15)17(20)21-10-22-24/h5-8,10H,1-4,9H2,(H2,20,21,22)
InChIKeyNJGWLJYASABWLN-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.09
Rot. Bonds3

About 5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 141441545) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID141441545
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(CN3CCOCC3)cc(-c3cc(F)cc(F)c3)c12
InChIInChI=1S/C17H17F2N5O/c18-12-5-11(6-13(19)7-12)15-8-14(9-23-1-3-25-4-2-23)24-16(15)17(20)21-10-22-24/h5-8,10H,1-4,9H2,(H2,20,21,22)
InChIKeyNJGWLJYASABWLN-UHFFFAOYSA-N
XLogP2.09
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 141441545) is 5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(CN3CCOCC3)cc(-c3cc(F)cc(F)c3)c12.
What is the InChIKey of 5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is NJGWLJYASABWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c18-12-5-11(6-13(19)7-12)15-8-14(9-23-1-3-25-4-2-23)24-16(15)17(20)21-10-22-24/h5-8,10H,1-4,9H2,(H2,20,21,22).
What are the key properties of 5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 345.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 141441545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).