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

C13H16N4O3 — CID 63183154

IUPAC6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC(CO)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H16N4O3/c1-16-12(19)11(15-17(2)13(16)20)14-10(8-18)9-6-4-3-5-7-9/h3-7,10,18H,8H2,1-2H3,(H,14,15)
InChIKeyZPDWEZLLPWGXCO-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.38
Rot. Bonds4

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

6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 63183154) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID63183154
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC(CO)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H16N4O3/c1-16-12(19)11(15-17(2)13(16)20)14-10(8-18)9-6-4-3-5-7-9/h3-7,10,18H,8H2,1-2H3,(H,14,15)
InChIKeyZPDWEZLLPWGXCO-UHFFFAOYSA-N
XLogP-0.38
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 63183154) is 6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NC(CO)c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is ZPDWEZLLPWGXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-16-12(19)11(15-17(2)13(16)20)14-10(8-18)9-6-4-3-5-7-9/h3-7,10,18H,8H2,1-2H3,(H,14,15).
What are the key properties of 6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 276.30 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-1-phenylethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63183154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).