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

C12H20N4O2 — CID 51456688

IUPAC6-[(3R,5R)-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-/m1/s1
InChIKeyOPCWSXXGKRQXPY-RKDXNWHRSA-N
MW252.32 g/mol
LogP-0.04
Rot. Bonds1

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

6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 51456688) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID51456688
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-[(3R,5R)-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-/m1/s1
InChIKeyOPCWSXXGKRQXPY-RKDXNWHRSA-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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 51456688) is 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3R,5R)-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-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is OPCWSXXGKRQXPY-RKDXNWHRSA-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-/m1/s1.
What are the key properties of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(3R,5R)-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-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 51456688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).