6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C14H17FN4O2 — CID 60966380

IUPAC6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(Cc1ccc(F)cc1)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H17FN4O2/c1-9(8-10-4-6-11(15)7-5-10)16-12-13(20)18(2)14(21)19(3)17-12/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyGXSWNKWGDUWHJF-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.66
Rot. Bonds4

About 6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 60966380) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID60966380
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(Cc1ccc(F)cc1)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H17FN4O2/c1-9(8-10-4-6-11(15)7-5-10)16-12-13(20)18(2)14(21)19(3)17-12/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyGXSWNKWGDUWHJF-UHFFFAOYSA-N
XLogP0.66
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 60966380) is 6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(Cc1ccc(F)cc1)Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is GXSWNKWGDUWHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-9(8-10-4-6-11(15)7-5-10)16-12-13(20)18(2)14(21)19(3)17-12/h4-7,9H,8H2,1-3H3,(H,16,17).
What are the key properties of 6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 292.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60966380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).