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

C17H18N4O2 — CID 22514454

IUPAC2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NCCc2ccccc2)c(=O)c2cccn12
InChIInChI=1S/C17H18N4O2/c1-13-19-21(17(23)15-8-5-11-20(13)15)12-16(22)18-10-9-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3,(H,18,22)
InChIKeyVDRZRCNIHYDKRI-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.16
Rot. Bonds5

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

2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide (PubChem CID 22514454) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide
PubChem CID22514454
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NCCc2ccccc2)c(=O)c2cccn12
InChIInChI=1S/C17H18N4O2/c1-13-19-21(17(23)15-8-5-11-20(13)15)12-16(22)18-10-9-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3,(H,18,22)
InChIKeyVDRZRCNIHYDKRI-UHFFFAOYSA-N
XLogP1.16
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.16
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-phenylethyl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide (CID 22514454) is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide is Cc1nn(CC(=O)NCCc2ccccc2)c(=O)c2cccn12.
What is the InChIKey of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is VDRZRCNIHYDKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-19-21(17(23)15-8-5-11-20(13)15)12-16(22)18-10-9-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3,(H,18,22).
What are the key properties of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide?
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.16, 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-phenylethyl)acetamide is sourced from PubChem (CID 22514454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).