2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide

C18H22N6O3 — CID 156890076

IUPAC2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
SMILESCOC(C)c1cc2c(=O)n(CC(=O)Nc3ccncn3)nc(C(C)C)n2c1
InChIInChI=1S/C18H22N6O3/c1-11(2)17-22-24(9-16(25)21-15-5-6-19-10-20-15)18(26)14-7-13(8-23(14)17)12(3)27-4/h5-8,10-12H,9H2,1-4H3,(H,19,20,21,25)
InChIKeyFMAVDOXWVTYCOL-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.76
Rot. Bonds6

About 2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide

2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide (PubChem CID 156890076) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide.

Molecular Properties

Compound Name2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
PubChem CID156890076
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
SMILESCOC(C)c1cc2c(=O)n(CC(=O)Nc3ccncn3)nc(C(C)C)n2c1
InChIInChI=1S/C18H22N6O3/c1-11(2)17-22-24(9-16(25)21-15-5-6-19-10-20-15)18(26)14-7-13(8-23(14)17)12(3)27-4/h5-8,10-12H,9H2,1-4H3,(H,19,20,21,25)
InChIKeyFMAVDOXWVTYCOL-UHFFFAOYSA-N
XLogP1.76
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[7-(3-fluoropropoxy)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 175392787
2-(1-oxo-7-phenyl-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide
CID 156890193
2-[4-(methylamino)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 156890306
2-[4-(2-methoxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 156890100
2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide
CID 156890271
2-(2-amino-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-pyrimidin-4-ylacetamide
CID 166518369
2-[2-(methylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide
CID 166518344
2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide
CID 166803168
2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)-N-pyrimidin-4-ylacetamide
CID 172635157
2-[4-(1-hydroxyethyl)-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl]-N-pyrimidin-4-ylacetamide
CID 166522289
2-(7-ethyl-2-iodo-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-pyrimidin-4-ylacetamide
CID 166518388
methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate
CID 156890071

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide?
The IUPAC name of 2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide (CID 156890076) is 2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide.
What is the SMILES notation for 2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide?
The canonical SMILES for 2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide is COC(C)c1cc2c(=O)n(CC(=O)Nc3ccncn3)nc(C(C)C)n2c1.
What is the InChIKey of 2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide?
The InChIKey is FMAVDOXWVTYCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-11(2)17-22-24(9-16(25)21-15-5-6-19-10-20-15)18(26)14-7-13(8-23(14)17)12(3)27-4/h5-8,10-12H,9H2,1-4H3,(H,19,20,21,25).
What are the key properties of 2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide?
2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide has a molecular weight of 370.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide is sourced from PubChem (CID 156890076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).