1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol

C13H12N6O — CID 135418326

IUPAC1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
SMILESNc1n[nH]c(N)c1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C13H12N6O/c14-12-11(13(15)19-18-12)17-16-10-8-4-2-1-3-7(8)5-6-9(10)20/h1-6,20H,(H5,14,15,18,19)/b17-16+
InChIKeyGDXYBJKEXPHAJF-WUKNDPDISA-N
MW268.28 g/mol
LogP2.85
Rot. Bonds2

About 1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol

1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol (PubChem CID 135418326) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
PubChem CID135418326
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
SMILESNc1n[nH]c(N)c1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C13H12N6O/c14-12-11(13(15)19-18-12)17-16-10-8-4-2-1-3-7(8)5-6-9(10)20/h1-6,20H,(H5,14,15,18,19)/b17-16+
InChIKeyGDXYBJKEXPHAJF-WUKNDPDISA-N
XLogP2.85
TPSA125.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.85
H-Bond Donors ≤ 54
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

4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135510724
1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol
CID 135588648
1-(2H-pyrazolo[3,4-b]pyridin-3-yldiazenyl)naphthalen-2-ol
CID 135697160
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol
CID 135744089
5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid
CID 3082296
4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135744091
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
1-(cyclopropyldiazenyl)naphthalen-2-ol
CID 135693137
3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
CID 136595298
1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol
CID 135727362
1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol
CID 135514019

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol (CID 135418326) is 1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol is Nc1n[nH]c(N)c1/N=N/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol?
The InChIKey is GDXYBJKEXPHAJF-WUKNDPDISA-N. The full InChI is InChI=1S/C13H12N6O/c14-12-11(13(15)19-18-12)17-16-10-8-4-2-1-3-7(8)5-6-9(10)20/h1-6,20H,(H5,14,15,18,19)/b17-16+.
What are the key properties of 1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol?
1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol has a molecular weight of 268.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 135418326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).