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

C10H18N4O3 — CID 104624110

IUPAC6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCCC(C)(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-10(2,4-5-17-3)6-11-7-8(15)12-9(16)14-13-7/h4-6H2,1-3H3,(H,11,13)(H2,12,14,15,16)
InChIKeyVMRVHQNMHTWJMV-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.07
Rot. Bonds6

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

6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 104624110) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID104624110
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCCC(C)(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-10(2,4-5-17-3)6-11-7-8(15)12-9(16)14-13-7/h4-6H2,1-3H3,(H,11,13)(H2,12,14,15,16)
InChIKeyVMRVHQNMHTWJMV-UHFFFAOYSA-N
XLogP-0.07
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 43410676
6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410703
6-(4-methoxybutylamino)-2H-1,2,4-triazine-3,5-dione
CID 60965118
6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione
CID 61168629
6-[(3-methoxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61783417
6-[2-(3-methylbutoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 61881964
6-(2-methylbutylamino)-2H-1,2,4-triazine-3,5-dione
CID 62694584
6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
CID 64598169
6-[(1-methoxy-3-methylbutan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 65048350
6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 66106889
6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 66107894
6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
CID 78966832

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 104624110) is 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is COCCC(C)(C)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is VMRVHQNMHTWJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-10(2,4-5-17-3)6-11-7-8(15)12-9(16)14-13-7/h4-6H2,1-3H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 104624110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).