4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole

C23H20ClN3 — CID 71762960

IUPAC4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole
SMILESCCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(Cl)c1C
InChIInChI=1S/C23H20ClN3/c1-3-22-25-26-23(27(22)21-11-7-10-20(24)16(21)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3
InChIKeyNOHNIZSVZHKRNO-UHFFFAOYSA-N
MW373.89 g/mol
LogP6.13
Rot. Bonds4

About 4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole

4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole (PubChem CID 71762960) has the molecular formula C23H20ClN3 and a molecular weight of 373.89 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole
PubChem CID71762960
Molecular FormulaC23H20ClN3
Molecular Weight373.89 g/mol
Exact Mass373.13
IUPAC Name4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole
SMILESCCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(Cl)c1C
InChIInChI=1S/C23H20ClN3/c1-3-22-25-26-23(27(22)21-11-7-10-20(24)16(21)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3
InChIKeyNOHNIZSVZHKRNO-UHFFFAOYSA-N
XLogP6.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole (CID 71762960) is 4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole is CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(Cl)c1C.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole?
The InChIKey is NOHNIZSVZHKRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3/c1-3-22-25-26-23(27(22)21-11-7-10-20(24)16(21)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3.
What are the key properties of 4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole?
4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole has a molecular weight of 373.89 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 71762960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).