6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione

C10H18N4O3 — CID 103746149

IUPAC6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)(C)C(CCO)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-10(2,3)6(4-5-15)11-7-8(16)12-9(17)14-13-7/h6,15H,4-5H2,1-3H3,(H,11,13)(H2,12,14,16,17)
InChIKeyFGNKXZROYFLCLP-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.33
Rot. Bonds4

About 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103746149) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103746149
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)(C)C(CCO)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-10(2,3)6(4-5-15)11-7-8(16)12-9(17)14-13-7/h6,15H,4-5H2,1-3H3,(H,11,13)(H2,12,14,16,17)
InChIKeyFGNKXZROYFLCLP-UHFFFAOYSA-N
XLogP-0.33
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61145738
6-[(1-hydroxy-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61246007
6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 66106889
6-(4-hydroxybutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 78997313
6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
CID 79246458
6-[(1-hydroxy-3-methylbutan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 79246748
6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 79479317
6-(5-hydroxypentan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 80295162
6-[(2-ethyl-4-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 80296871
6-[(3-hydroxy-2,2-dimethylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 81634993
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-4,4-dimethylpentanoic acid
CID 81994105
6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103703930

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 103746149) is 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is CC(C)(C)C(CCO)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FGNKXZROYFLCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-10(2,3)6(4-5-15)11-7-8(16)12-9(17)14-13-7/h6,15H,4-5H2,1-3H3,(H,11,13)(H2,12,14,16,17).
What are the key properties of 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of -0.33, 4 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-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103746149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).