6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C13H23N5O2 — CID 64979050

IUPAC6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC1CN(c2nn(C)c(=O)n(C)c2=O)C(CC)CN1
InChIInChI=1S/C13H23N5O2/c1-5-9-8-18(10(6-2)7-14-9)11-12(19)16(3)13(20)17(4)15-11/h9-10,14H,5-8H2,1-4H3
InChIKeyPCOZOAVTEZTXQP-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.55
Rot. Bonds3

About 6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 64979050) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID64979050
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC1CN(c2nn(C)c(=O)n(C)c2=O)C(CC)CN1
InChIInChI=1S/C13H23N5O2/c1-5-9-8-18(10(6-2)7-14-9)11-12(19)16(3)13(20)17(4)15-11/h9-10,14H,5-8H2,1-4H3
InChIKeyPCOZOAVTEZTXQP-UHFFFAOYSA-N
XLogP-0.55
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

2,5-diethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperazine
CID 64979048
4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136978340
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61409552
4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978344
6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63759493
2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid
CID 61371099
2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 104976116
4-(2,5-diethylpiperazin-1-yl)furo[3,2-c]pyridine
CID 106535311
4-(2,5-diethylpiperazin-1-yl)thieno[3,2-d]pyrimidine
CID 64979282
8-(2,5-diethylpiperazin-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 64979253
2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine
CID 107586938
2,5-diethyl-1-(5-methyl-2-pyridinyl)piperazine
CID 64979037

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 64979050) is 6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCC1CN(c2nn(C)c(=O)n(C)c2=O)C(CC)CN1.
What is the InChIKey of 6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is PCOZOAVTEZTXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-5-9-8-18(10(6-2)7-14-9)11-12(19)16(3)13(20)17(4)15-11/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 281.36 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 64979050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).