1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea

C7H7F3N4O — CID 121293266

IUPAC1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea
SMILESCNC(=O)Nc1cnncc1C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c1-11-6(15)14-5-3-13-12-2-4(5)7(8,9)10/h2-3H,1H3,(H2,11,12,14,15)
InChIKeyTXCCCTRKGRZUOX-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.25
Rot. Bonds1

About 1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea

1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea (PubChem CID 121293266) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea
PubChem CID121293266
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC Name1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea
SMILESCNC(=O)Nc1cnncc1C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c1-11-6(15)14-5-3-13-12-2-4(5)7(8,9)10/h2-3H,1H3,(H2,11,12,14,15)
InChIKeyTXCCCTRKGRZUOX-UHFFFAOYSA-N
XLogP1.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(Trifluoromethyl)pyridazin-4-yl]urea
CID 144749752
1-Pyridazin-4-yl-3-(2,2,2-trifluoroethyl)urea
CID 132299781
1-[[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea
CID 154765477
N-(4-pyridazinyl)-N'-(1-methylethyl)urea
CID 14099145
1-Ethyl-3-pyridazin-4-ylurea
CID 20150032
1-Butyl-3-pyridazin-4-ylurea
CID 20150034
3-methyl-1H-imidazo[4,5-d]pyridazin-2-one
CID 130251235
1H-pyrimido[4,5-d]pyridazin-2-one
CID 165406167
1-Methoxy-3-(5-methylpyridazin-4-yl)urea
CID 130621021
1,1-Dimethyl-3-(5-methylpyridazin-4-yl)urea
CID 130621305
(5-Methylpyridazin-4-yl)urea
CID 130738499

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea?
The IUPAC name of 1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea (CID 121293266) is 1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea.
What is the SMILES notation for 1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea?
The canonical SMILES for 1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea is CNC(=O)Nc1cnncc1C(F)(F)F.
What is the InChIKey of 1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea?
The InChIKey is TXCCCTRKGRZUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c1-11-6(15)14-5-3-13-12-2-4(5)7(8,9)10/h2-3H,1H3,(H2,11,12,14,15).
What are the key properties of 1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea?
1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea has a molecular weight of 220.15 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea is sourced from PubChem (CID 121293266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).