3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol

C16H11N5O — CID 2865083

IUPAC3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1nncc2ccccc12
InChIInChI=1S/C16H11N5O/c22-16-14(12-7-3-4-8-13(12)18-16)19-21-15-11-6-2-1-5-10(11)9-17-20-15/h1-9,18,22H/b21-19+
InChIKeyPSMRGDTVEWXOBS-XUTLUUPISA-N
MW289.30 g/mol
LogP4.23
Rot. Bonds2

About 3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol

3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol (PubChem CID 2865083) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol
PubChem CID2865083
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1nncc2ccccc12
InChIInChI=1S/C16H11N5O/c22-16-14(12-7-3-4-8-13(12)18-16)19-21-15-11-6-2-1-5-10(11)9-17-20-15/h1-9,18,22H/b21-19+
InChIKeyPSMRGDTVEWXOBS-XUTLUUPISA-N
XLogP4.23
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(phthalazin-1-yldiazenyl)-1H-indol-2-ol?
The IUPAC name of 3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol (CID 2865083) is 3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol.
What is the SMILES notation for 3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol?
The canonical SMILES for 3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/N=N/c1nncc2ccccc12.
What is the InChIKey of 3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol?
The InChIKey is PSMRGDTVEWXOBS-XUTLUUPISA-N. The full InChI is InChI=1S/C16H11N5O/c22-16-14(12-7-3-4-8-13(12)18-16)19-21-15-11-6-2-1-5-10(11)9-17-20-15/h1-9,18,22H/b21-19+.
What are the key properties of 3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol?
3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol has a molecular weight of 289.30 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phthalazin-1-yldiazenyl)-1H-indol-2-ol is sourced from PubChem (CID 2865083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).