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

C8H14N4O3 — CID 79246458

IUPAC6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)[C@@H](CO)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-4(2)5(3-13)9-6-7(14)10-8(15)12-11-6/h4-5,13H,3H2,1-2H3,(H,9,11)(H2,10,12,14,15)/t5-/m1/s1
InChIKeyOPDZNVOBZOOCOU-RXMQYKEDSA-N
MW214.22 g/mol
LogP-1.11
Rot. Bonds4

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

6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 79246458) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID79246458
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)[C@@H](CO)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-4(2)5(3-13)9-6-7(14)10-8(15)12-11-6/h4-5,13H,3H2,1-2H3,(H,9,11)(H2,10,12,14,15)/t5-/m1/s1
InChIKeyOPDZNVOBZOOCOU-RXMQYKEDSA-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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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione (CID 79246458) is 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione is CC(C)[C@@H](CO)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is OPDZNVOBZOOCOU-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-4(2)5(3-13)9-6-7(14)10-8(15)12-11-6/h4-5,13H,3H2,1-2H3,(H,9,11)(H2,10,12,14,15)/t5-/m1/s1.
What are the key properties of 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]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-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 79246458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).