6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H20N4O3 — CID 102636075

IUPAC6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(c1nn(C)c(=O)n(C)c1=O)C1CCCCC1O
InChIInChI=1S/C12H20N4O3/c1-14(8-6-4-5-7-9(8)17)10-11(18)15(2)12(19)16(3)13-10/h8-9,17H,4-7H2,1-3H3
InChIKeyJFHCVJCYJWUISR-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.78
Rot. Bonds2

About 6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 102636075) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID102636075
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(c1nn(C)c(=O)n(C)c1=O)C1CCCCC1O
InChIInChI=1S/C12H20N4O3/c1-14(8-6-4-5-7-9(8)17)10-11(18)15(2)12(19)16(3)13-10/h8-9,17H,4-7H2,1-3H3
InChIKeyJFHCVJCYJWUISR-UHFFFAOYSA-N
XLogP-0.78
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[azepan-4-yl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 107174173
6-chloro-2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
CID 102632530
N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 102634585
2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631354
2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635970
2-[(3-fluoro-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635994
6-[(2,2-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 79839056
2-[methyl-(2-methyl-4-pyridinyl)amino]cyclohexan-1-ol
CID 102635956
6-(cyclopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410478
3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 102631233
2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol
CID 102633750
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102633805

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 102636075) is 6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CN(c1nn(C)c(=O)n(C)c1=O)C1CCCCC1O.
What is the InChIKey of 6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is JFHCVJCYJWUISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-14(8-6-4-5-7-9(8)17)10-11(18)15(2)12(19)16(3)13-10/h8-9,17H,4-7H2,1-3H3.
What are the key properties of 6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 268.32 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxycyclohexyl)-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 102636075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).