1-(7H-purin-6-yldiazenyl)naphthalen-2-ol

C15H10N6O — CID 146350466

IUPAC1-(7H-purin-6-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ncnc2nc[nH]c12
InChIInChI=1S/C15H10N6O/c22-11-6-5-9-3-1-2-4-10(9)12(11)20-21-15-13-14(17-7-16-13)18-8-19-15/h1-8,22H,(H,16,17,18,19)/b21-20+
InChIKeyHMSVAPFAKCWQHZ-QZQOTICOSA-N
MW290.29 g/mol
LogP3.63
Rot. Bonds2

About 1-(7H-purin-6-yldiazenyl)naphthalen-2-ol

1-(7H-purin-6-yldiazenyl)naphthalen-2-ol (PubChem CID 146350466) has the molecular formula C15H10N6O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-(7H-purin-6-yldiazenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(7H-purin-6-yldiazenyl)naphthalen-2-ol
PubChem CID146350466
Molecular FormulaC15H10N6O
Molecular Weight290.29 g/mol
Exact Mass290.09
IUPAC Name1-(7H-purin-6-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ncnc2nc[nH]c12
InChIInChI=1S/C15H10N6O/c22-11-6-5-9-3-1-2-4-10(9)12(11)20-21-15-13-14(17-7-16-13)18-8-19-15/h1-8,22H,(H,16,17,18,19)/b21-20+
InChIKeyHMSVAPFAKCWQHZ-QZQOTICOSA-N
XLogP3.63
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.63
H-Bond Donors ≤ 52
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

1-(2H-pyrazolo[3,4-b]pyridin-3-yldiazenyl)naphthalen-2-ol
CID 135697160
1-[(2-methoxyphenyl)-(7H-purin-6-ylamino)methyl]naphthalen-2-ol
CID 132547241
1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol
CID 135718521
1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol
CID 132547243
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 135418326
(4-chlorophenyl)methyl-(7H-purin-6-yl)diazene
CID 90723012
1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol
CID 135588648
(4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene
CID 170922223
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc
CID 135718537
1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel
CID 135718526
1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol
CID 165351154

Frequently Asked Questions

What is the IUPAC name of 1-(7H-purin-6-yldiazenyl)naphthalen-2-ol?
The IUPAC name of 1-(7H-purin-6-yldiazenyl)naphthalen-2-ol (CID 146350466) is 1-(7H-purin-6-yldiazenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(7H-purin-6-yldiazenyl)naphthalen-2-ol?
The canonical SMILES for 1-(7H-purin-6-yldiazenyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/N=N/c1ncnc2nc[nH]c12.
What is the InChIKey of 1-(7H-purin-6-yldiazenyl)naphthalen-2-ol?
The InChIKey is HMSVAPFAKCWQHZ-QZQOTICOSA-N. The full InChI is InChI=1S/C15H10N6O/c22-11-6-5-9-3-1-2-4-10(9)12(11)20-21-15-13-14(17-7-16-13)18-8-19-15/h1-8,22H,(H,16,17,18,19)/b21-20+.
What are the key properties of 1-(7H-purin-6-yldiazenyl)naphthalen-2-ol?
1-(7H-purin-6-yldiazenyl)naphthalen-2-ol has a molecular weight of 290.29 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-purin-6-yldiazenyl)naphthalen-2-ol is sourced from PubChem (CID 146350466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).