2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine

C21H17FN4 — CID 71762328

IUPAC2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine
SMILESCCc1nnc(-c2ccc(-c3ccccc3)cn2)n1-c1ccccc1F
InChIInChI=1S/C21H17FN4/c1-2-20-24-25-21(26(20)19-11-7-6-10-17(19)22)18-13-12-16(14-23-18)15-8-4-3-5-9-15/h3-14H,2H2,1H3
InChIKeyKNGHOEPRLUNXLI-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.70
Rot. Bonds4

About 2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine

2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine (PubChem CID 71762328) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine.

Molecular Properties

Compound Name2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine
PubChem CID71762328
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine
SMILESCCc1nnc(-c2ccc(-c3ccccc3)cn2)n1-c1ccccc1F
InChIInChI=1S/C21H17FN4/c1-2-20-24-25-21(26(20)19-11-7-6-10-17(19)22)18-13-12-16(14-23-18)15-8-4-3-5-9-15/h3-14H,2H2,1H3
InChIKeyKNGHOEPRLUNXLI-UHFFFAOYSA-N
XLogP4.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine?
The IUPAC name of 2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine (CID 71762328) is 2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine.
What is the SMILES notation for 2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine?
The canonical SMILES for 2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine is CCc1nnc(-c2ccc(-c3ccccc3)cn2)n1-c1ccccc1F.
What is the InChIKey of 2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine?
The InChIKey is KNGHOEPRLUNXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c1-2-20-24-25-21(26(20)19-11-7-6-10-17(19)22)18-13-12-16(14-23-18)15-8-4-3-5-9-15/h3-14H,2H2,1H3.
What are the key properties of 2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine?
2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine has a molecular weight of 344.39 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine is sourced from PubChem (CID 71762328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).