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N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide

C17H20N8O2 — CID 122184948

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12
InChIInChI=1S/C17H20N8O2/c1-11(26)19-10-13-2-3-14-16(24-4-6-27-7-5-24)22-15(23-25(13)14)12-8-20-17(18)21-9-12/h2-3,8-9H,4-7,10H2,1H3,(H,19,26)(H2,18,20,21)
InChIKeyVZEATICNGBOBHL-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.24
Rot. Bonds4

About N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide

N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide (PubChem CID 122184948) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide
PubChem CID122184948
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC NameN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12
InChIInChI=1S/C17H20N8O2/c1-11(26)19-10-13-2-3-14-16(24-4-6-27-7-5-24)22-15(23-25(13)14)12-8-20-17(18)21-9-12/h2-3,8-9H,4-7,10H2,1H3,(H,19,26)(H2,18,20,21)
InChIKeyVZEATICNGBOBHL-UHFFFAOYSA-N
XLogP0.24
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide?
The IUPAC name of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide (CID 122184948) is N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide is CC(=O)NCc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12.
What is the InChIKey of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide?
The InChIKey is VZEATICNGBOBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-11(26)19-10-13-2-3-14-16(24-4-6-27-7-5-24)22-15(23-25(13)14)12-8-20-17(18)21-9-12/h2-3,8-9H,4-7,10H2,1H3,(H,19,26)(H2,18,20,21).
What are the key properties of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide?
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide has a molecular weight of 368.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide is sourced from PubChem (CID 122184948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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