3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol

C17H11N7O — CID 1387996

IUPAC3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1nn2cnnc2c2ccccc12
InChIInChI=1S/C17H11N7O/c25-17-14(12-7-3-4-8-13(12)19-17)20-21-15-10-5-1-2-6-11(10)16-22-18-9-24(16)23-15/h1-9,19,25H/b21-20+
InChIKeyLARNEXICOOMUPZ-QZQOTICOSA-N
MW329.32 g/mol
LogP3.88
Rot. Bonds2

About 3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol

3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol (PubChem CID 1387996) has the molecular formula C17H11N7O and a molecular weight of 329.32 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol
PubChem CID1387996
Molecular FormulaC17H11N7O
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1nn2cnnc2c2ccccc12
InChIInChI=1S/C17H11N7O/c25-17-14(12-7-3-4-8-13(12)19-17)20-21-15-10-5-1-2-6-11(10)16-22-18-9-24(16)23-15/h1-9,19,25H/b21-20+
InChIKeyLARNEXICOOMUPZ-QZQOTICOSA-N
XLogP3.88
TPSA103.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol?
The IUPAC name of 3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol (CID 1387996) is 3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol.
What is the SMILES notation for 3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol?
The canonical SMILES for 3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/N=N/c1nn2cnnc2c2ccccc12.
What is the InChIKey of 3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol?
The InChIKey is LARNEXICOOMUPZ-QZQOTICOSA-N. The full InChI is InChI=1S/C17H11N7O/c25-17-14(12-7-3-4-8-13(12)19-17)20-21-15-10-5-1-2-6-11(10)16-22-18-9-24(16)23-15/h1-9,19,25H/b21-20+.
What are the key properties of 3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol?
3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol has a molecular weight of 329.32 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol is sourced from PubChem (CID 1387996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).