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

C12H20N4O3 — CID 64912092

IUPAC6-[(2-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2CCCCC2O)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-15-11(18)10(14-16(2)12(15)19)13-7-8-5-3-4-6-9(8)17/h8-9,17H,3-7H2,1-2H3,(H,13,14)
InChIKeyVEPIFEFYGLAOGL-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.56
Rot. Bonds3

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 64912092) 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 CID64912092
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
SMILESCn1nc(NCC2CCCCC2O)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-15-11(18)10(14-16(2)12(15)19)13-7-8-5-3-4-6-9(8)17/h8-9,17H,3-7H2,1-2H3,(H,13,14)
InChIKeyVEPIFEFYGLAOGL-UHFFFAOYSA-N
XLogP-0.56
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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 64912092) 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 Cn1nc(NCC2CCCCC2O)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is VEPIFEFYGLAOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-15-11(18)10(14-16(2)12(15)19)13-7-8-5-3-4-6-9(8)17/h8-9,17H,3-7H2,1-2H3,(H,13,14).
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 -0.56, 3 rotatable bonds, 2 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 64912092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).