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

C13H23N5O2 — CID 115599561

IUPAC2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
SMILESCN1CCC(CCNc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C13H23N5O2/c1-16-8-5-10(6-9-16)4-7-14-11-12(19)17(2)13(20)18(3)15-11/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyKQSQJZJCENHZNH-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.38
Rot. Bonds4

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

2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione (PubChem CID 115599561) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
PubChem CID115599561
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
SMILESCN1CCC(CCNc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C13H23N5O2/c1-16-8-5-10(6-9-16)4-7-14-11-12(19)17(2)13(20)18(3)15-11/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyKQSQJZJCENHZNH-UHFFFAOYSA-N
XLogP-0.38
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Methyl-6-piperazin-1-yl-2-(4,4,4-trifluorobutyl)-1,2,4-triazine-3,5-dione
CID 124152031
6-[[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione
CID 177934184
1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-3-carboxamide
CID 16307350
N,N-diethyl-2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetamide
CID 50971169
2,4-dimethyl-6-(3-oxo-piperazin-1-yl)-2H-[1,2,4]triazine-3,5-dione
CID 16352503
2,4-dimethyl-6-(piperazin-1-yl)-1,2,4-triazine-3,5(2H,4H)-dione
CID 33781065
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-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 93454020
6-[(2-Amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 113283291
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione (CID 115599561) is 2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione is CN1CCC(CCNc2nn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The InChIKey is KQSQJZJCENHZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-16-8-5-10(6-9-16)4-7-14-11-12(19)17(2)13(20)18(3)15-11/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione has a molecular weight of 281.36 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 115599561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).