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

C13H23N5O2 — CID 17448512

IUPAC2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione
SMILESCC(C)CN1CCN(c2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C13H23N5O2/c1-10(2)9-17-5-7-18(8-6-17)11-12(19)15(3)13(20)16(4)14-11/h10H,5-9H2,1-4H3
InChIKeyFFHUXPXQDBOHMQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.74
Rot. Bonds3

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

2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione (PubChem CID 17448512) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione
PubChem CID17448512
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione
SMILESCC(C)CN1CCN(c2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C13H23N5O2/c1-10(2)9-17-5-7-18(8-6-17)11-12(19)15(3)13(20)16(4)14-11/h10H,5-9H2,1-4H3
InChIKeyFFHUXPXQDBOHMQ-UHFFFAOYSA-N
XLogP-0.74
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-Dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione
CID 17448544
2,4-dimethyl-6-(3-methyl-piperazin-1-yl)-2H-[1,2,4]triazine-3,5-dione
CID 58269805
6-[2-(Dimethylamino)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 118928160
6-[3-(Dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 118928164
2-Butyl-4-methyl-6-piperazin-1-yl-1,2,4-triazine-3,5-dione
CID 124152029
4-Methyl-2-(3-methylbutyl)-6-piperazin-1-yl-1,2,4-triazine-3,5-dione
CID 124152036
6-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 9453068
2,4-Dimethyl-6-(3-methylbutylamino)-1,2,4-triazine-3,5-dione
CID 16346306
6-(3,5-Dimethylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 16386931
2,4-Dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione;oxalic acid
CID 17448511
6-[4-[2-(Azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 25498346
2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]-N,N-dimethylacetamide
CID 32366601

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione (CID 17448512) is 2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione is CC(C)CN1CCN(c2nn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione?
The InChIKey is FFHUXPXQDBOHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(2)9-17-5-7-18(8-6-17)11-12(19)15(3)13(20)16(4)14-11/h10H,5-9H2,1-4H3.
What are the key properties of 2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione has a molecular weight of 281.36 g/mol, XLogP of -0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[4-(2-methylpropyl)piperazin-1-yl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 17448512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).