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

C16H23N5O2 — CID 22514467

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCCN1CCCC1CNC(=O)Cn1nc(C)n2cccc2c1=O
InChIInChI=1S/C16H23N5O2/c1-3-19-8-4-6-13(19)10-17-15(22)11-21-16(23)14-7-5-9-20(14)12(2)18-21/h5,7,9,13H,3-4,6,8,10-11H2,1-2H3,(H,17,22)
InChIKeyJFRAJKDTJSTEHJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.40
Rot. Bonds5

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514467) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514467
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCCN1CCCC1CNC(=O)Cn1nc(C)n2cccc2c1=O
InChIInChI=1S/C16H23N5O2/c1-3-19-8-4-6-13(19)10-17-15(22)11-21-16(23)14-7-5-9-20(14)12(2)18-21/h5,7,9,13H,3-4,6,8,10-11H2,1-2H3,(H,17,22)
InChIKeyJFRAJKDTJSTEHJ-UHFFFAOYSA-N
XLogP0.40
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514467) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is CCN1CCCC1CNC(=O)Cn1nc(C)n2cccc2c1=O.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is JFRAJKDTJSTEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-19-8-4-6-13(19)10-17-15(22)11-21-16(23)14-7-5-9-20(14)12(2)18-21/h5,7,9,13H,3-4,6,8,10-11H2,1-2H3,(H,17,22).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).