3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole

C23H15ClN4 — CID 6402462

IUPAC3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole
SMILESClc1ccc(-c2nnc(-c3ccccc3)c(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C23H15ClN4/c24-17-12-10-16(11-13-17)23-26-22(19-14-25-20-9-5-4-8-18(19)20)21(27-28-23)15-6-2-1-3-7-15/h1-14,25H
InChIKeyOIOMSIYCFBMANC-UHFFFAOYSA-N
MW382.85 g/mol
LogP6.01
Rot. Bonds3

About 3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole

3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole (PubChem CID 6402462) has the molecular formula C23H15ClN4 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole
PubChem CID6402462
Molecular FormulaC23H15ClN4
Molecular Weight382.85 g/mol
Exact Mass382.10
IUPAC Name3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole
SMILESClc1ccc(-c2nnc(-c3ccccc3)c(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C23H15ClN4/c24-17-12-10-16(11-13-17)23-26-22(19-14-25-20-9-5-4-8-18(19)20)21(27-28-23)15-6-2-1-3-7-15/h1-14,25H
InChIKeyOIOMSIYCFBMANC-UHFFFAOYSA-N
XLogP6.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole (CID 6402462) is 3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole is Clc1ccc(-c2nnc(-c3ccccc3)c(-c3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole?
The InChIKey is OIOMSIYCFBMANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4/c24-17-12-10-16(11-13-17)23-26-22(19-14-25-20-9-5-4-8-18(19)20)21(27-28-23)15-6-2-1-3-7-15/h1-14,25H.
What are the key properties of 3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole?
3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole has a molecular weight of 382.85 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]-1H-indole is sourced from PubChem (CID 6402462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).