6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione

C9H16N4O2 — CID 103462566

IUPAC6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCC(C)(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O2/c1-4-9(2,3)5-10-6-7(14)11-8(15)13-12-6/h4-5H2,1-3H3,(H,10,12)(H2,11,13,14,15)
InChIKeyCHJNZRSKFGQZLE-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.31
Rot. Bonds4

About 6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione

6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 103462566) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID103462566
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCC(C)(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O2/c1-4-9(2,3)5-10-6-7(14)11-8(15)13-12-6/h4-5H2,1-3H3,(H,10,12)(H2,11,13,14,15)
InChIKeyCHJNZRSKFGQZLE-UHFFFAOYSA-N
XLogP0.31
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 60754214
6-[1-(diethylamino)propan-2-ylamino]-2H-1,2,4-triazine-3,5-dione
CID 61808089
6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 78954839
6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 115306136
2,4-Dimethyl-6-(3-methylbutylamino)-1,2,4-triazine-3,5-dione
CID 16346306
6-[[3-(Dimethylamino)-2,2-dimethylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410491
6-(1-cyclopropylethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410656
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide
CID 43410665
6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410670
6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 43410671
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 43410676
6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione
CID 43410684

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione (CID 103462566) is 6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione is CCC(C)(C)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is CHJNZRSKFGQZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-9(2,3)5-10-6-7(14)11-8(15)13-12-6/h4-5H2,1-3H3,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 212.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103462566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).