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

C8H14N4O3 — CID 115644049

IUPAC6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)C(O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-4(2)5(13)3-9-6-7(14)10-8(15)12-11-6/h4-5,13H,3H2,1-2H3,(H,9,11)(H2,10,12,14,15)
InChIKeyTZVNEGOGGUDJHT-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.11
Rot. Bonds4

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

6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 115644049) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID115644049
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)C(O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-4(2)5(13)3-9-6-7(14)10-8(15)12-11-6/h4-5,13H,3H2,1-2H3,(H,9,11)(H2,10,12,14,15)
InChIKeyTZVNEGOGGUDJHT-UHFFFAOYSA-N
XLogP-1.11
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103731311
6-(2-Hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410488
6-(1-hydroxybutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410702
6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410703
6-(3-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410708
6-[(2-Hydroxypropyl)amino]-1,2,4-triazine-3,5(2H,4H)-dione
CID 43424211
6-(1-hydroxypropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43646863
6-[(1-hydroxy-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61246007
6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61360991
6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61425425
6-[butyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61448488
6-[2-hydroxypropyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61608504

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 115644049) is 6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is CC(C)C(O)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is TZVNEGOGGUDJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-4(2)5(13)3-9-6-7(14)10-8(15)12-11-6/h4-5,13H,3H2,1-2H3,(H,9,11)(H2,10,12,14,15).
What are the key properties of 6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 214.22 g/mol, XLogP of -1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 115644049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).