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

C11H19N5O2 — CID 106996196

IUPAC2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione
SMILESCC1CC(Nc2nn(C)c(=O)n(C)c2=O)CCN1
InChIInChI=1S/C11H19N5O2/c1-7-6-8(4-5-12-7)13-9-10(17)15(2)11(18)16(3)14-9/h7-8,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyOYHJIOACAAXHEN-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.97
Rot. Bonds2

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

2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione (PubChem CID 106996196) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione
PubChem CID106996196
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione
SMILESCC1CC(Nc2nn(C)c(=O)n(C)c2=O)CCN1
InChIInChI=1S/C11H19N5O2/c1-7-6-8(4-5-12-7)13-9-10(17)15(2)11(18)16(3)14-9/h7-8,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyOYHJIOACAAXHEN-UHFFFAOYSA-N
XLogP-0.97
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione (CID 106996196) is 2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione is CC1CC(Nc2nn(C)c(=O)n(C)c2=O)CCN1.
What is the InChIKey of 2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione?
The InChIKey is OYHJIOACAAXHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-7-6-8(4-5-12-7)13-9-10(17)15(2)11(18)16(3)14-9/h7-8,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione has a molecular weight of 253.31 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 106996196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).