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

C13H22N4O3 — CID 62302673

IUPAC6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC1CCCC(O)(CNc2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C13H22N4O3/c1-9-5-4-6-13(20,7-9)8-14-10-11(18)16(2)12(19)17(3)15-10/h9,20H,4-8H2,1-3H3,(H,14,15)
InChIKeyVXDZTYRTGZYQIY-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.17
Rot. Bonds3

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

6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 62302673) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID62302673
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC1CCCC(O)(CNc2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C13H22N4O3/c1-9-5-4-6-13(20,7-9)8-14-10-11(18)16(2)12(19)17(3)15-10/h9,20H,4-8H2,1-3H3,(H,14,15)
InChIKeyVXDZTYRTGZYQIY-UHFFFAOYSA-N
XLogP-0.17
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 62302673) is 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC1CCCC(O)(CNc2nn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is VXDZTYRTGZYQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9-5-4-6-13(20,7-9)8-14-10-11(18)16(2)12(19)17(3)15-10/h9,20H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 282.34 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62302673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).