3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole

C11H11ClFN3 — CID 115395003

IUPAC3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFN3/c1-2-6-16-7-14-15-11(16)8-4-3-5-9(12)10(8)13/h3-5,7H,2,6H2,1H3
InChIKeyDTIMJEOJQKWVKI-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.15
Rot. Bonds3

About 3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole

3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole (PubChem CID 115395003) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole
PubChem CID115395003
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFN3/c1-2-6-16-7-14-15-11(16)8-4-3-5-9(12)10(8)13/h3-5,7H,2,6H2,1H3
InChIKeyDTIMJEOJQKWVKI-UHFFFAOYSA-N
XLogP3.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 63724131
4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole
CID 115394918
3-(2,3,4,5,6-pentafluorophenyl)-4-propyl-1,2,4-triazole
CID 115395009
3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
CID 115395120
3-(3-methyl-2-nitrophenyl)-4-propyl-1,2,4-triazole
CID 113301331
4-propyl-3-(3,4,5-trifluorophenyl)-1,2,4-triazole
CID 113301320
3-(2-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301449
3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole
CID 115395141
3-(3-chloro-4-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395050
3-(2,3-difluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395501
5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 62694495
3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
CID 115395002

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole (CID 115395003) is 3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole is CCCn1cnnc1-c1cccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole?
The InChIKey is DTIMJEOJQKWVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-2-6-16-7-14-15-11(16)8-4-3-5-9(12)10(8)13/h3-5,7H,2,6H2,1H3.
What are the key properties of 3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole?
3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole has a molecular weight of 239.68 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 115395003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).