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

C21H17FN4 — CID 71762327

IUPAC5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine
SMILESCCc1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1ccccc1F
InChIInChI=1S/C21H17FN4/c1-2-20-24-25-21(26(20)19-11-7-6-10-17(19)22)16-12-13-18(23-14-16)15-8-4-3-5-9-15/h3-14H,2H2,1H3
InChIKeyPNFIZBYDSLBYNC-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.70
Rot. Bonds4

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

5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine (PubChem CID 71762327) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine
PubChem CID71762327
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine
SMILESCCc1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1ccccc1F
InChIInChI=1S/C21H17FN4/c1-2-20-24-25-21(26(20)19-11-7-6-10-17(19)22)16-12-13-18(23-14-16)15-8-4-3-5-9-15/h3-14H,2H2,1H3
InChIKeyPNFIZBYDSLBYNC-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 5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine?
The IUPAC name of 5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine (CID 71762327) is 5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine.
What is the SMILES notation for 5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine?
The canonical SMILES for 5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine is CCc1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1ccccc1F.
What is the InChIKey of 5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine?
The InChIKey is PNFIZBYDSLBYNC-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)16-12-13-18(23-14-16)15-8-4-3-5-9-15/h3-14H,2H2,1H3.
What are the key properties of 5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine?
5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-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 5-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine is sourced from PubChem (CID 71762327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).