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

C13H23N5O2 — CID 118917146

IUPAC6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)C1CCCCC1Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N5O2/c1-16(2)10-8-6-5-7-9(10)14-11-12(19)17(3)13(20)18(4)15-11/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyCCLLYXGNHJFIJG-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.24
Rot. Bonds3

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

6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 118917146) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID118917146
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)C1CCCCC1Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N5O2/c1-16(2)10-8-6-5-7-9(10)14-11-12(19)17(3)13(20)18(4)15-11/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyCCLLYXGNHJFIJG-UHFFFAOYSA-N
XLogP-0.24
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 118917146) is 6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CN(C)C1CCCCC1Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is CCLLYXGNHJFIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-16(2)10-8-6-5-7-9(10)14-11-12(19)17(3)13(20)18(4)15-11/h9-10H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 281.36 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 118917146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).