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

C11H20N4O3 — CID 103705241

IUPAC6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(C)(C)CCO)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-11(2,5-6-16)7-12-8-9(17)14(3)10(18)15(4)13-8/h16H,5-7H2,1-4H3,(H,12,13)
InChIKeyIPPMHMLWBJSQNL-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.70
Rot. Bonds5

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

6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 103705241) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID103705241
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(C)(C)CCO)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-11(2,5-6-16)7-12-8-9(17)14(3)10(18)15(4)13-8/h16H,5-7H2,1-4H3,(H,12,13)
InChIKeyIPPMHMLWBJSQNL-UHFFFAOYSA-N
XLogP-0.70
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-(3-Hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410460
4-Heptyl-6-(4-hydroxybutylamino)-2-methyl-1,2,4-triazine-3,5-dione
CID 68809959
6-(1-Hydroxybutan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410468
6-(4-Methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60964349
6-[(1-Hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61246006
6-[(3-Hydroxy-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61362420
6-[3-(Hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62370448
6-[(2-Hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62947597
6-(3-Hydroxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 64203508
6-[(1-Hydroxy-2-methylbutan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 64558026
6-[(3-Hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 66006770
6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 66106889

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 103705241) is 6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC(C)(C)CCO)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is IPPMHMLWBJSQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-11(2,5-6-16)7-12-8-9(17)14(3)10(18)15(4)13-8/h16H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 256.31 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103705241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).