6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C13H15FN4O2 — CID 41041785

IUPAC6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESC[C@@H](Nc1nn(C)c(=O)n(C)c1=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN4O2/c1-8(9-4-6-10(14)7-5-9)15-11-12(19)17(2)13(20)18(3)16-11/h4-8H,1-3H3,(H,15,16)/t8-/m1/s1
InChIKeyBCFLRDNQAJIVJY-MRVPVSSYSA-N
MW278.29 g/mol
LogP0.79
Rot. Bonds3

About 6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 41041785) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID41041785
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESC[C@@H](Nc1nn(C)c(=O)n(C)c1=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN4O2/c1-8(9-4-6-10(14)7-5-9)15-11-12(19)17(2)13(20)18(3)16-11/h4-8H,1-3H3,(H,15,16)/t8-/m1/s1
InChIKeyBCFLRDNQAJIVJY-MRVPVSSYSA-N
XLogP0.79
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 41041785) is 6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is C[C@@H](Nc1nn(C)c(=O)n(C)c1=O)c1ccc(F)cc1.
What is the InChIKey of 6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is BCFLRDNQAJIVJY-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-8(9-4-6-10(14)7-5-9)15-11-12(19)17(2)13(20)18(3)16-11/h4-8H,1-3H3,(H,15,16)/t8-/m1/s1.
What are the key properties of 6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 278.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 41041785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).