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

C12H20N4O3 — CID 65118807

IUPAC6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(C)CCC(O)(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H20N4O3/c1-11(2)3-5-12(19,6-4-11)7-13-8-9(17)14-10(18)16-15-8/h19H,3-7H2,1-2H3,(H,13,15)(H2,14,16,17,18)
InChIKeyVDWDSLXSQIZSOP-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.20
Rot. Bonds3

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

6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 65118807) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID65118807
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(C)CCC(O)(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H20N4O3/c1-11(2)3-5-12(19,6-4-11)7-13-8-9(17)14-10(18)16-15-8/h19H,3-7H2,1-2H3,(H,13,15)(H2,14,16,17,18)
InChIKeyVDWDSLXSQIZSOP-UHFFFAOYSA-N
XLogP0.20
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 65118807) is 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is CC1(C)CCC(O)(CNc2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is VDWDSLXSQIZSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-11(2)3-5-12(19,6-4-11)7-13-8-9(17)14-10(18)16-15-8/h19H,3-7H2,1-2H3,(H,13,15)(H2,14,16,17,18).
What are the key properties of 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 268.32 g/mol, XLogP of 0.20, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 65118807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).