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

C14H18N4O2 — CID 3240218

IUPAC2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCC(C(=O)N1CCCCC1)n1ncn2cccc2c1=O
InChIInChI=1S/C14H18N4O2/c1-11(13(19)16-7-3-2-4-8-16)18-14(20)12-6-5-9-17(12)10-15-18/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyZLEXSENZYPGFKA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.07
Rot. Bonds2

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

2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 3240218) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID3240218
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCC(C(=O)N1CCCCC1)n1ncn2cccc2c1=O
InChIInChI=1S/C14H18N4O2/c1-11(13(19)16-7-3-2-4-8-16)18-14(20)12-6-5-9-17(12)10-15-18/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyZLEXSENZYPGFKA-UHFFFAOYSA-N
XLogP1.07
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 3240218) is 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one is CC(C(=O)N1CCCCC1)n1ncn2cccc2c1=O.
What is the InChIKey of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is ZLEXSENZYPGFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(13(19)16-7-3-2-4-8-16)18-14(20)12-6-5-9-17(12)10-15-18/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 274.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 3240218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).