3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol

C24H18N6O — CID 135818199

IUPAC3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/N=N/c3nnc(-c4ccccc4)c(-c4ccccc4)n3)c2c1
InChIInChI=1S/C24H18N6O/c1-15-12-13-19-18(14-15)22(23(31)25-19)28-30-24-26-20(16-8-4-2-5-9-16)21(27-29-24)17-10-6-3-7-11-17/h2-14,25,31H,1H3/b30-28+
InChIKeyBXTPSUODSVQDFH-SJCQXOIGSA-N
MW406.45 g/mol
LogP6.12
Rot. Bonds4

About 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol

3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol (PubChem CID 135818199) has the molecular formula C24H18N6O and a molecular weight of 406.45 g/mol. Its IUPAC name is 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol
PubChem CID135818199
Molecular FormulaC24H18N6O
Molecular Weight406.45 g/mol
Exact Mass406.15
IUPAC Name3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/N=N/c3nnc(-c4ccccc4)c(-c4ccccc4)n3)c2c1
InChIInChI=1S/C24H18N6O/c1-15-12-13-19-18(14-15)22(23(31)25-19)28-30-24-26-20(16-8-4-2-5-9-16)21(27-29-24)17-10-6-3-7-11-17/h2-14,25,31H,1H3/b30-28+
InChIKeyBXTPSUODSVQDFH-SJCQXOIGSA-N
XLogP6.12
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzothiazol-2-yldiazenyl)-5-methyl-1H-indol-2-ol
CID 3564277
5-methyl-3-nitroso-1H-indol-2-ol
CID 583072
3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 136867473
3-[(3-chloro-4-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 135775287
2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 788827
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
CID 135981069
CID 135981069
5-bromo-3-[(4,6-dianilino-1,3,5-triazin-2-yl)diazenyl]-1H-indol-2-ol
CID 137117422
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 3522573
2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 165415929
3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol
CID 135571903
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide
CID 136961535

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol (CID 135818199) is 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol is Cc1ccc2[nH]c(O)c(/N=N/c3nnc(-c4ccccc4)c(-c4ccccc4)n3)c2c1.
What is the InChIKey of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol?
The InChIKey is BXTPSUODSVQDFH-SJCQXOIGSA-N. The full InChI is InChI=1S/C24H18N6O/c1-15-12-13-19-18(14-15)22(23(31)25-19)28-30-24-26-20(16-8-4-2-5-9-16)21(27-29-24)17-10-6-3-7-11-17/h2-14,25,31H,1H3/b30-28+.
What are the key properties of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol?
3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol has a molecular weight of 406.45 g/mol, XLogP of 6.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol is sourced from PubChem (CID 135818199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).