1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea

C11H10F3N5O2 — CID 141494859

IUPAC1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea
SMILESCC1=NNC(=O)N(NC(=O)Nc2cc(F)c(F)cc2F)C1
InChIInChI=1S/C11H10F3N5O2/c1-5-4-19(11(21)17-16-5)18-10(20)15-9-3-7(13)6(12)2-8(9)14/h2-3H,4H2,1H3,(H,17,21)(H2,15,18,20)
InChIKeySMGRDIBTSOGVSX-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.54
Rot. Bonds2

About 1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea

1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea (PubChem CID 141494859) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea
PubChem CID141494859
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea
SMILESCC1=NNC(=O)N(NC(=O)Nc2cc(F)c(F)cc2F)C1
InChIInChI=1S/C11H10F3N5O2/c1-5-4-19(11(21)17-16-5)18-10(20)15-9-3-7(13)6(12)2-8(9)14/h2-3H,4H2,1H3,(H,17,21)(H2,15,18,20)
InChIKeySMGRDIBTSOGVSX-UHFFFAOYSA-N
XLogP1.54
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea?
The IUPAC name of 1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea (CID 141494859) is 1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea.
What is the SMILES notation for 1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea?
The canonical SMILES for 1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea is CC1=NNC(=O)N(NC(=O)Nc2cc(F)c(F)cc2F)C1.
What is the InChIKey of 1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea?
The InChIKey is SMGRDIBTSOGVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-5-4-19(11(21)17-16-5)18-10(20)15-9-3-7(13)6(12)2-8(9)14/h2-3H,4H2,1H3,(H,17,21)(H2,15,18,20).
What are the key properties of 1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea?
1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea has a molecular weight of 301.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-3-(2,4,5-trifluorophenyl)urea is sourced from PubChem (CID 141494859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).