1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea

C15H18F3N5O2 — CID 166313516

IUPAC1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea
SMILESCN(CCCO)C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C15H18F3N5O2/c1-22(7-2-8-24)14(25)19-13-10-23(21-20-13)9-11-3-5-12(6-4-11)15(16,17)18/h3-6,10,24H,2,7-9H2,1H3,(H,19,25)
InChIKeyFFDOAMCWEKTBPY-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.19
Rot. Bonds6

About 1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea

1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea (PubChem CID 166313516) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea
PubChem CID166313516
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea
SMILESCN(CCCO)C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C15H18F3N5O2/c1-22(7-2-8-24)14(25)19-13-10-23(21-20-13)9-11-3-5-12(6-4-11)15(16,17)18/h3-6,10,24H,2,7-9H2,1H3,(H,19,25)
InChIKeyFFDOAMCWEKTBPY-UHFFFAOYSA-N
XLogP2.19
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-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

Related Compounds

1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
CID 24633183
3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 111453132
N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45167198
3-[methyl-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]carbamoyl]amino]propanoic acid
CID 122087391
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 108989320
N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide
CID 99834227
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
1-[(1-benzyltriazol-4-yl)carbamoyl]-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid
CID 138028346
1-[(4-chlorophenyl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42160017
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide
CID 112530623
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489
N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 3231000

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea (CID 166313516) is 1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea is CN(CCCO)C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of 1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea?
The InChIKey is FFDOAMCWEKTBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-22(7-2-8-24)14(25)19-13-10-23(21-20-13)9-11-3-5-12(6-4-11)15(16,17)18/h3-6,10,24H,2,7-9H2,1H3,(H,19,25).
What are the key properties of 1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea?
1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea has a molecular weight of 357.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-1-methyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]urea is sourced from PubChem (CID 166313516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).