4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline

C19H21FN4O — CID 16736237

IUPAC4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cn(-c3ccc(OCCCF)cc3)nn2)cc1
InChIInChI=1S/C19H21FN4O/c1-23(2)16-6-4-15(5-7-16)19-14-24(22-21-19)17-8-10-18(11-9-17)25-13-3-12-20/h4-11,14H,3,12-13H2,1-2H3
InChIKeyWACVKHAXTKMTHO-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.74
Rot. Bonds7

About 4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline

4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline (PubChem CID 16736237) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
PubChem CID16736237
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cn(-c3ccc(OCCCF)cc3)nn2)cc1
InChIInChI=1S/C19H21FN4O/c1-23(2)16-6-4-15(5-7-16)19-14-24(22-21-19)17-8-10-18(11-9-17)25-13-3-12-20/h4-11,14H,3,12-13H2,1-2H3
InChIKeyWACVKHAXTKMTHO-UHFFFAOYSA-N
XLogP3.74
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-Carbamimidoylphenyl)triazol-4-yl]-4-methoxybenzenecarboximidamide
CID 44627437
2-[2-[2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 16736229
2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol
CID 16736230
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N-methylaniline
CID 16736234
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736235
3-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol
CID 16736236
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736456
3-[1-[4-[3-(2-Phenylphenoxy)propyl]phenyl]triazol-4-yl]pyridine
CID 86305328
3-[1-[8-(2-Phenylphenoxy)octyl]triazol-4-yl]pyridine
CID 86305868
3-[1-[7-(2-Phenylphenoxy)heptyl]triazol-4-yl]pyridine
CID 86305869
3-[1-[6-(2-Phenylphenoxy)hexyl]triazol-4-yl]pyridine
CID 86305870
trans-(1R,2S)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 164612273

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline (CID 16736237) is 4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cn(-c3ccc(OCCCF)cc3)nn2)cc1.
What is the InChIKey of 4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
The InChIKey is WACVKHAXTKMTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-23(2)16-6-4-15(5-7-16)19-14-24(22-21-19)17-8-10-18(11-9-17)25-13-3-12-20/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline has a molecular weight of 340.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 16736237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).