6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H22N4O3 — CID 103705093

IUPAC6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCCC(CCO)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-4-5-9(6-7-17)8-13-10-11(18)15(2)12(19)16(3)14-10/h9,17H,4-8H2,1-3H3,(H,13,14)
InChIKeyYMUYUVFAMMCMKY-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.31
Rot. Bonds7

About 6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 103705093) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID103705093
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCCC(CCO)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-4-5-9(6-7-17)8-13-10-11(18)15(2)12(19)16(3)14-10/h9,17H,4-8H2,1-3H3,(H,13,14)
InChIKeyYMUYUVFAMMCMKY-UHFFFAOYSA-N
XLogP-0.31
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-Heptyl-6-(4-hydroxybutylamino)-2-methyl-1,2,4-triazine-3,5-dione
CID 68809959
2-Heptyl-6-(3-hydroxypropylamino)-4-methyl-1,2,4-triazine-3,5-dione
CID 68811688
4-Heptyl-6-(3-hydroxypropylamino)-2-methyl-1,2,4-triazine-3,5-dione
CID 153704328
6-[(4-Hydroxycyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410482
6-(Cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43431825
2,4-Dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione
CID 55209691
6-[4-(Hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60964628
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-(2-Hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62358302
6-[3-(2-hydroxyethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 62358303
6-[[1-(Hydroxymethyl)cyclopentyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62519370

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 103705093) is 6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCCC(CCO)CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is YMUYUVFAMMCMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-4-5-9(6-7-17)8-13-10-11(18)15(2)12(19)16(3)14-10/h9,17H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 270.33 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103705093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).