4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole

C23H19N5 — CID 57391964

IUPAC4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole
SMILESCCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2[nH]ncc12
InChIInChI=1S/C23H19N5/c1-2-22-26-27-23(28(22)21-10-6-9-20-19(21)15-24-25-20)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,24,25)
InChIKeyMMTMWBLVVGVHLW-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.04
Rot. Bonds4

About 4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole

4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole (PubChem CID 57391964) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole
PubChem CID57391964
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole
SMILESCCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2[nH]ncc12
InChIInChI=1S/C23H19N5/c1-2-22-26-27-23(28(22)21-10-6-9-20-19(21)15-24-25-20)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,24,25)
InChIKeyMMTMWBLVVGVHLW-UHFFFAOYSA-N
XLogP5.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole?
The IUPAC name of 4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole (CID 57391964) is 4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole.
What is the SMILES notation for 4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole?
The canonical SMILES for 4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole is CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2[nH]ncc12.
What is the InChIKey of 4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole?
The InChIKey is MMTMWBLVVGVHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-2-22-26-27-23(28(22)21-10-6-9-20-19(21)15-24-25-20)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,24,25).
What are the key properties of 4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole?
4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole has a molecular weight of 365.44 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indazole is sourced from PubChem (CID 57391964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).