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

C10H19N5O2 — CID 113283890

IUPAC6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CC(C)(CN)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H19N5O2/c1-6(2)4-10(3,5-11)13-7-8(16)12-9(17)15-14-7/h6H,4-5,11H2,1-3H3,(H,13,14)(H2,12,15,16,17)
InChIKeyNZOGQAAJAFYKOU-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.37
Rot. Bonds5

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

6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 113283890) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID113283890
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CC(C)(CN)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H19N5O2/c1-6(2)4-10(3,5-11)13-7-8(16)12-9(17)15-14-7/h6H,4-5,11H2,1-3H3,(H,13,14)(H2,12,15,16,17)
InChIKeyNZOGQAAJAFYKOU-UHFFFAOYSA-N
XLogP-0.37
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 60754214
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
6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 116653286
6-(1-cyclopropylethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410656
6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410670
6-[(2-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 43410675
6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione
CID 43410684
6-(pentan-3-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410688
6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410699
6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410703
6-(pentylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410716

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 113283890) is 6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione is CC(C)CC(C)(CN)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is NZOGQAAJAFYKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-6(2)4-10(3,5-11)13-7-8(16)12-9(17)15-14-7/h6H,4-5,11H2,1-3H3,(H,13,14)(H2,12,15,16,17).
What are the key properties of 6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 241.29 g/mol, XLogP of -0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 113283890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).