3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole

C11H11ClFN3 — CID 81266297

IUPAC3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(-c2cccc(Cl)c2F)n[nH]1
InChIInChI=1S/C11H11ClFN3/c1-2-4-9-14-11(16-15-9)7-5-3-6-8(12)10(7)13/h3,5-6H,2,4H2,1H3,(H,14,15,16)
InChIKeyLKUSWBKPSJDNFE-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.22
Rot. Bonds3

About 3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole

3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole (PubChem CID 81266297) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole
PubChem CID81266297
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(-c2cccc(Cl)c2F)n[nH]1
InChIInChI=1S/C11H11ClFN3/c1-2-4-9-14-11(16-15-9)7-5-3-6-8(12)10(7)13/h3,5-6H,2,4H2,1H3,(H,14,15,16)
InChIKeyLKUSWBKPSJDNFE-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Chlorophenyl)-5-(methylthio)-4H-1,2,4-triazole
CID 449127
3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
CID 691412
5-(4-fluorophenyl)-4H-1,2,4-triazol-3-amine
CID 652295
5-(2-chlorophenyl)-4H-1,2,4-triazol-3-amine
CID 5064432
5-(2-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 644851
4H-1,2,4-Triazol-4-amine, 3,5-bis(2-chlorophenyl)-
CID 826306
5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 4730488
N-[(2-chloro-6-fluorophenyl)methyl]-5-phenyl-1H-1,2,4-triazol-3-amine
CID 130429242
3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole
CID 2815832
3,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-4-amine
CID 2768010
5-(Heptafluoropropyl)-3-phenyl-1H-1,2,4-triazole
CID 10903073
1H-1,2,4-Triazole, 3-(4-chlorophenyl)-
CID 90025

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole (CID 81266297) is 3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole is CCCc1nc(-c2cccc(Cl)c2F)n[nH]1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole?
The InChIKey is LKUSWBKPSJDNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-2-4-9-14-11(16-15-9)7-5-3-6-8(12)10(7)13/h3,5-6H,2,4H2,1H3,(H,14,15,16).
What are the key properties of 3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole?
3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole has a molecular weight of 239.68 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole is sourced from PubChem (CID 81266297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).