2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide

C18H20N4O2 — CID 22514466

IUPAC2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c2cccn12
InChIInChI=1S/C18H20N4O2/c1-13(15-7-4-3-5-8-15)11-19-17(23)12-22-18(24)16-9-6-10-21(16)14(2)20-22/h3-10,13H,11-12H2,1-2H3,(H,19,23)
InChIKeyJJKYKRCABFJYBO-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.72
Rot. Bonds5

About 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide

2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide (PubChem CID 22514466) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide
PubChem CID22514466
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c2cccn12
InChIInChI=1S/C18H20N4O2/c1-13(15-7-4-3-5-8-15)11-19-17(23)12-22-18(24)16-9-6-10-21(16)14(2)20-22/h3-10,13H,11-12H2,1-2H3,(H,19,23)
InChIKeyJJKYKRCABFJYBO-UHFFFAOYSA-N
XLogP1.72
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide (CID 22514466) is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide is Cc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c2cccn12.
What is the InChIKey of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide?
The InChIKey is JJKYKRCABFJYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(15-7-4-3-5-8-15)11-19-17(23)12-22-18(24)16-9-6-10-21(16)14(2)20-22/h3-10,13H,11-12H2,1-2H3,(H,19,23).
What are the key properties of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide?
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 22514466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).