5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol

C16H15N3O — CID 3091340

IUPAC5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/N=N/c3ccccc3C)c2c1
InChIInChI=1S/C16H15N3O/c1-10-7-8-14-12(9-10)15(16(20)17-14)19-18-13-6-4-3-5-11(13)2/h3-9,17,20H,1-2H3/b19-18+
InChIKeyDCQPVNDMTWKLMH-VHEBQXMUSA-N
MW265.32 g/mol
LogP4.91
Rot. Bonds2

About 5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol

5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol (PubChem CID 3091340) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol
PubChem CID3091340
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/N=N/c3ccccc3C)c2c1
InChIInChI=1S/C16H15N3O/c1-10-7-8-14-12(9-10)15(16(20)17-14)19-18-13-6-4-3-5-11(13)2/h3-9,17,20H,1-2H3/b19-18+
InChIKeyDCQPVNDMTWKLMH-VHEBQXMUSA-N
XLogP4.91
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Indirubin-3'-monoxime
CID 3707
Methisazone
CID 667492
4-[N'-(2-Oxo-1,2-dihydro-indol-3-ylidene)-hydrazino]-benzoic acid
CID 5033943
1-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
(3Z)-3-[(2-hydroxyphenyl)hydrazinylidene]-1-prop-2-enylindol-2-one
CID 135857069
Indirubin deriv. 8h
CID 135434954
Indirubin deriv. 9b
CID 135434955
Oxindole-Based Inhibitor 17
CID 135434964
Oxindole-Based Inhibitor 41
CID 135434978
Oxindole-Based Inhibitor 42
CID 135434979
Oxindole-Based Inhibitor 65
CID 135434993

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol (CID 3091340) is 5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol is Cc1ccc2[nH]c(O)c(/N=N/c3ccccc3C)c2c1.
What is the InChIKey of 5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is DCQPVNDMTWKLMH-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-7-8-14-12(9-10)15(16(20)17-14)19-18-13-6-4-3-5-11(13)2/h3-9,17,20H,1-2H3/b19-18+.
What are the key properties of 5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol?
5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 265.32 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 3091340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).