2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one

C17H24N4O2 — CID 22514526

IUPAC2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCCc1nn(CC(=O)N2CC(C)CC(C)C2)c(=O)c2cccn12
InChIInChI=1S/C17H24N4O2/c1-4-15-18-21(17(23)14-6-5-7-20(14)15)11-16(22)19-9-12(2)8-13(3)10-19/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyOIJXVOFHICEZPW-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.56
Rot. Bonds3

About 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one

2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 22514526) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID22514526
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCCc1nn(CC(=O)N2CC(C)CC(C)C2)c(=O)c2cccn12
InChIInChI=1S/C17H24N4O2/c1-4-15-18-21(17(23)14-6-5-7-20(14)15)11-16(22)19-9-12(2)8-13(3)10-19/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyOIJXVOFHICEZPW-UHFFFAOYSA-N
XLogP1.56
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one (CID 22514526) is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one is CCc1nn(CC(=O)N2CC(C)CC(C)C2)c(=O)c2cccn12.
What is the InChIKey of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is OIJXVOFHICEZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-15-18-21(17(23)14-6-5-7-20(14)15)11-16(22)19-9-12(2)8-13(3)10-19/h5-7,12-13H,4,8-11H2,1-3H3.
What are the key properties of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one?
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 316.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 22514526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).