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

C12H20N4O2 — CID 51456687

IUPAC6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESC[C@H]1C[C@H](C)CN(c2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C12H20N4O2/c1-8-5-9(2)7-16(6-8)10-11(17)14(3)12(18)15(4)13-10/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyOPCWSXXGKRQXPY-IUCAKERBSA-N
MW252.32 g/mol
LogP-0.04
Rot. Bonds1

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

6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 51456687) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID51456687
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESC[C@H]1C[C@H](C)CN(c2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C12H20N4O2/c1-8-5-9(2)7-16(6-8)10-11(17)14(3)12(18)15(4)13-10/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyOPCWSXXGKRQXPY-IUCAKERBSA-N
XLogP-0.04
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2,4-Dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione
CID 17448544
1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-3-carboxamide
CID 16307350
6-[3-(Dimethylamino)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 118928164
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
(3S)-1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-3-carboxamide
CID 9507114
(3R)-1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-3-carboxamide
CID 9507115
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
CID 17448512
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
6-(Cyclohexylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410436

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 51456687) is 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is C[C@H]1C[C@H](C)CN(c2nn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is OPCWSXXGKRQXPY-IUCAKERBSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-5-9(2)7-16(6-8)10-11(17)14(3)12(18)15(4)13-10/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 252.32 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 51456687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).