[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

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Related Compounds

(5-methylpyridazin-4-yl)urea
CID 130738499
5-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 69242850
[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea
CID 69286520
[2-(trifluoromethyl)anilino]urea
CID 141255172
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
[2-fluoro-6-(trifluoromethyl)phenyl]urea
CID 83403332
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
methyl [5-(trifluoromethyl)pyridazin-4-yl] carbonate
CID 69355881
1-[1-[6-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea;molecular hydrogen
CID 170788810
2-methyl-2-[2-(trifluoromethyl)anilino]propanamide
CID 62312755
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
CID 2726846

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).