1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea

C10H11F3N4O — CID 163985169

IUPAC1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea
SMILES[H]/N=N/N(C)C(=O)Nc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C10H11F3N4O/c1-6-7(10(11,12)13)4-3-5-8(6)15-9(18)17(2)16-14/h3-5,14H,1-2H3,(H,15,18)/b16-14+
InChIKeyTVQSDVTXXDOFIX-JQIJEIRASA-N
MW260.22 g/mol
LogP3.42
Rot. Bonds2

About 1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea

1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea (PubChem CID 163985169) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea
PubChem CID163985169
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea
SMILES[H]/N=N/N(C)C(=O)Nc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C10H11F3N4O/c1-6-7(10(11,12)13)4-3-5-8(6)15-9(18)17(2)16-14/h3-5,14H,1-2H3,(H,15,18)/b16-14+
InChIKeyTVQSDVTXXDOFIX-JQIJEIRASA-N
XLogP3.42
TPSA68.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
1-(2-cyanoethyl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea
CID 3779878
1-(2-cyanoethyl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 61314609
3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 59381869
2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119709174
N-[[2-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]acetamide
CID 86799382
2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide
CID 46782328
[2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride
CID 84820116
N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 134351074
1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086831
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 66188265

Frequently Asked Questions

What is the IUPAC name of 1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea (CID 163985169) is 1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea is [H]/N=N/N(C)C(=O)Nc1cccc(C(F)(F)F)c1C.
What is the InChIKey of 1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea?
The InChIKey is TVQSDVTXXDOFIX-JQIJEIRASA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-6-7(10(11,12)13)4-3-5-8(6)15-9(18)17(2)16-14/h3-5,14H,1-2H3,(H,15,18)/b16-14+.
What are the key properties of 1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea?
1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea has a molecular weight of 260.22 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 163985169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).