[5-(trifluoromethyl)pyridazin-4-yl]urea

C6H5F3N4O — CID 144749752

IUPAC[5-(trifluoromethyl)pyridazin-4-yl]urea
SMILESNC(=O)Nc1cnncc1C(F)(F)F
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)3-1-11-12-2-4(3)13-5(10)14/h1-2H,(H3,10,11,13,14)
InChIKeyONUBHNKMGJWPLK-UHFFFAOYSA-N
MW206.13 g/mol
LogP0.99
Rot. Bonds1

About [5-(trifluoromethyl)pyridazin-4-yl]urea

[5-(trifluoromethyl)pyridazin-4-yl]urea (PubChem CID 144749752) has the molecular formula C6H5F3N4O and a molecular weight of 206.13 g/mol. Its IUPAC name is [5-(trifluoromethyl)pyridazin-4-yl]urea.

Molecular Properties

Compound Name[5-(trifluoromethyl)pyridazin-4-yl]urea
PubChem CID144749752
Molecular FormulaC6H5F3N4O
Molecular Weight206.13 g/mol
Exact Mass206.04
IUPAC Name[5-(trifluoromethyl)pyridazin-4-yl]urea
SMILESNC(=O)Nc1cnncc1C(F)(F)F
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)3-1-11-12-2-4(3)13-5(10)14/h1-2H,(H3,10,11,13,14)
InChIKeyONUBHNKMGJWPLK-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-(trifluoromethyl)pyridazin-4-yl]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 [5-(trifluoromethyl)pyridazin-4-yl]urea?
The IUPAC name of [5-(trifluoromethyl)pyridazin-4-yl]urea (CID 144749752) is [5-(trifluoromethyl)pyridazin-4-yl]urea.
What is the SMILES notation for [5-(trifluoromethyl)pyridazin-4-yl]urea?
The canonical SMILES for [5-(trifluoromethyl)pyridazin-4-yl]urea is NC(=O)Nc1cnncc1C(F)(F)F.
What is the InChIKey of [5-(trifluoromethyl)pyridazin-4-yl]urea?
The InChIKey is ONUBHNKMGJWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O/c7-6(8,9)3-1-11-12-2-4(3)13-5(10)14/h1-2H,(H3,10,11,13,14).
What are the key properties of [5-(trifluoromethyl)pyridazin-4-yl]urea?
[5-(trifluoromethyl)pyridazin-4-yl]urea has a molecular weight of 206.13 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)pyridazin-4-yl]urea is sourced from PubChem (CID 144749752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).