2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one

C13H16N4O2 — CID 3238990

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESO=C(Cn1ncn2cccc2c1=O)N1CCCCC1
InChIInChI=1S/C13H16N4O2/c18-12(15-6-2-1-3-7-15)9-17-13(19)11-5-4-8-16(11)10-14-17/h4-5,8,10H,1-3,6-7,9H2
InChIKeyHDCPHEZHSKNIOW-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.51
Rot. Bonds2

About 2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one

2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 3238990) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID3238990
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESO=C(Cn1ncn2cccc2c1=O)N1CCCCC1
InChIInChI=1S/C13H16N4O2/c18-12(15-6-2-1-3-7-15)9-17-13(19)11-5-4-8-16(11)10-14-17/h4-5,8,10H,1-3,6-7,9H2
InChIKeyHDCPHEZHSKNIOW-UHFFFAOYSA-N
XLogP0.51
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 3238990) is 2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one is O=C(Cn1ncn2cccc2c1=O)N1CCCCC1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is HDCPHEZHSKNIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-12(15-6-2-1-3-7-15)9-17-13(19)11-5-4-8-16(11)10-14-17/h4-5,8,10H,1-3,6-7,9H2.
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 260.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 3238990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).