6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H21N5O2 — CID 118928164

IUPAC6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)C1CCCN(c2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C12H21N5O2/c1-14(2)9-6-5-7-17(8-9)10-11(18)15(3)12(19)16(4)13-10/h9H,5-8H2,1-4H3
InChIKeyQMOULEVZFGMZTR-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.99
Rot. Bonds2

About 6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 118928164) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID118928164
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)C1CCCN(c2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C12H21N5O2/c1-14(2)9-6-5-7-17(8-9)10-11(18)15(3)12(19)16(4)13-10/h9H,5-8H2,1-4H3
InChIKeyQMOULEVZFGMZTR-UHFFFAOYSA-N
XLogP-0.99
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-(Azepan-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 4963954
6-[[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione
CID 177934184
6-[(2-Aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 55151132
2,4-dimethyl-6-(3-methyl-piperazin-1-yl)-2H-[1,2,4]triazine-3,5-dione
CID 58269805
6-[2-Aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63760136
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 93454020
6-[[2-(Dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 118917146
6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 118928179
6-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 118928180
2-Butyl-4-methyl-6-piperazin-1-yl-1,2,4-triazine-3,5-dione
CID 124152029
6-[[(1R)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 145028977
6-[[(1R)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 145028981

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 118928164) is 6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CN(C)C1CCCN(c2nn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is QMOULEVZFGMZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-14(2)9-6-5-7-17(8-9)10-11(18)15(3)12(19)16(4)13-10/h9H,5-8H2,1-4H3.
What are the key properties of 6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 267.33 g/mol, XLogP of -0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 118928164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).