1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol

C16H11N5O — CID 165351154

IUPAC1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1nnc2ccccn12
InChIInChI=1S/C16H11N5O/c22-13-9-8-11-5-1-2-6-12(11)15(13)18-20-16-19-17-14-7-3-4-10-21(14)16/h1-10,22H/b20-18+
InChIKeyCTMKVJSIPHHCHA-CZIZESTLSA-N
MW289.30 g/mol
LogP4.00
Rot. Bonds2

About 1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol

1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol (PubChem CID 165351154) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol
PubChem CID165351154
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1nnc2ccccn12
InChIInChI=1S/C16H11N5O/c22-13-9-8-11-5-1-2-6-12(11)15(13)18-20-16-19-17-14-7-3-4-10-21(14)16/h1-10,22H/b20-18+
InChIKeyCTMKVJSIPHHCHA-CZIZESTLSA-N
XLogP4.00
TPSA75.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
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

ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 136818473
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 135418326
1-(2H-pyrazolo[3,4-b]pyridin-3-yldiazenyl)naphthalen-2-ol
CID 135697160
1-(cyclopropyldiazenyl)naphthalen-2-ol
CID 135693137
3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
CID 136595298
1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol
CID 135588648
1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol
CID 135514019
1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol
CID 135727362
1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol
CID 165352937
1-(7H-purin-6-yldiazenyl)naphthalen-2-ol
CID 146350466

Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol?
The IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol (CID 165351154) is 1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol.
What is the SMILES notation for 1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol?
The canonical SMILES for 1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/N=N/c1nnc2ccccn12.
What is the InChIKey of 1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol?
The InChIKey is CTMKVJSIPHHCHA-CZIZESTLSA-N. The full InChI is InChI=1S/C16H11N5O/c22-13-9-8-11-5-1-2-6-12(11)15(13)18-20-16-19-17-14-7-3-4-10-21(14)16/h1-10,22H/b20-18+.
What are the key properties of 1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol?
1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol has a molecular weight of 289.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol is sourced from PubChem (CID 165351154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).