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

C10H17N5O2 — CID 83026805

IUPAC6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCCC(C)N1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O2/c1-6-4-3-5-7(2)15(6)14-8-9(16)11-10(17)13-12-8/h6-7H,3-5H2,1-2H3,(H,12,14)(H2,11,13,16,17)
InChIKeyGDUCOJXOJDLHDM-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.05
Rot. Bonds2

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

6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 83026805) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID83026805
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCCC(C)N1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O2/c1-6-4-3-5-7(2)15(6)14-8-9(16)11-10(17)13-12-8/h6-7H,3-5H2,1-2H3,(H,12,14)(H2,11,13,16,17)
InChIKeyGDUCOJXOJDLHDM-UHFFFAOYSA-N
XLogP0.05
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 83026805) is 6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione is CC1CCCC(C)N1Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GDUCOJXOJDLHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6-4-3-5-7(2)15(6)14-8-9(16)11-10(17)13-12-8/h6-7H,3-5H2,1-2H3,(H,12,14)(H2,11,13,16,17).
What are the key properties of 6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 239.28 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 83026805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).