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

C19H29N5O2 — CID 46952617

IUPAC4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one
SMILESCCN1C(=O)N(CC(=O)N2CC(C)CC(C)C2)c2cccnc2N1CC
InChIInChI=1S/C19H29N5O2/c1-5-23-18-16(8-7-9-20-18)22(19(26)24(23)6-2)13-17(25)21-11-14(3)10-15(4)12-21/h7-9,14-15H,5-6,10-13H2,1-4H3
InChIKeyZDUXLENQGNILMA-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.59
Rot. Bonds4

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

4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one (PubChem CID 46952617) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one
PubChem CID46952617
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one
SMILESCCN1C(=O)N(CC(=O)N2CC(C)CC(C)C2)c2cccnc2N1CC
InChIInChI=1S/C19H29N5O2/c1-5-23-18-16(8-7-9-20-18)22(19(26)24(23)6-2)13-17(25)21-11-14(3)10-15(4)12-21/h7-9,14-15H,5-6,10-13H2,1-4H3
InChIKeyZDUXLENQGNILMA-UHFFFAOYSA-N
XLogP2.59
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-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 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one?
The IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one (CID 46952617) is 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one.
What is the SMILES notation for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one?
The canonical SMILES for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one is CCN1C(=O)N(CC(=O)N2CC(C)CC(C)C2)c2cccnc2N1CC.
What is the InChIKey of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one?
The InChIKey is ZDUXLENQGNILMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-5-23-18-16(8-7-9-20-18)22(19(26)24(23)6-2)13-17(25)21-11-14(3)10-15(4)12-21/h7-9,14-15H,5-6,10-13H2,1-4H3.
What are the key properties of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one?
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one has a molecular weight of 359.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one is sourced from PubChem (CID 46952617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).