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

C10H18N4O3 — CID 79246251

IUPAC6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)[C@@H](CO)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-6(2)7(5-15)11-8-9(16)13(3)10(17)14(4)12-8/h6-7,15H,5H2,1-4H3,(H,11,12)/t7-/m1/s1
InChIKeySBDKZKYUVNRKRI-SSDOTTSWSA-N
MW242.28 g/mol
LogP-1.09
Rot. Bonds4

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

6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 79246251) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID79246251
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)[C@@H](CO)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-6(2)7(5-15)11-8-9(16)13(3)10(17)14(4)12-8/h6-7,15H,5H2,1-4H3,(H,11,12)/t7-/m1/s1
InChIKeySBDKZKYUVNRKRI-SSDOTTSWSA-N
XLogP-1.09
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 79246251) is 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(C)[C@@H](CO)Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is SBDKZKYUVNRKRI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-6(2)7(5-15)11-8-9(16)13(3)10(17)14(4)12-8/h6-7,15H,5H2,1-4H3,(H,11,12)/t7-/m1/s1.
What are the key properties of 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 79246251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).