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

C13H11N5O — CID 135588648

IUPAC1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol
SMILESCc1nc(/N=N/c2c(O)ccc3ccccc23)n[nH]1
InChIInChI=1S/C13H11N5O/c1-8-14-13(17-15-8)18-16-12-10-5-3-2-4-9(10)6-7-11(12)19/h2-7,19H,1H3,(H,14,15,17)/b18-16+
InChIKeyVZDRFCQFMTWUFJ-FBMGVBCBSA-N
MW253.27 g/mol
LogP3.39
Rot. Bonds2

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

1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol (PubChem CID 135588648) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol
PubChem CID135588648
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol
SMILESCc1nc(/N=N/c2c(O)ccc3ccccc23)n[nH]1
InChIInChI=1S/C13H11N5O/c1-8-14-13(17-15-8)18-16-12-10-5-3-2-4-9(10)6-7-11(12)19/h2-7,19H,1H3,(H,14,15,17)/b18-16+
InChIKeyVZDRFCQFMTWUFJ-FBMGVBCBSA-N
XLogP3.39
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.39
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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Related Compounds

ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
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-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 136818473
5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid
CID 3082296
1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol
CID 136629139
cobalt(2+);bis(4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate);methanol
CID 139171779
1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol
CID 135718521
1-(cyclopropyldiazenyl)naphthalen-2-ol
CID 135693137
1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
CID 159712546
carbanylium;4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate
CID 158079681

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol (CID 135588648) is 1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol is Cc1nc(/N=N/c2c(O)ccc3ccccc23)n[nH]1.
What is the InChIKey of 1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol?
The InChIKey is VZDRFCQFMTWUFJ-FBMGVBCBSA-N. The full InChI is InChI=1S/C13H11N5O/c1-8-14-13(17-15-8)18-16-12-10-5-3-2-4-9(10)6-7-11(12)19/h2-7,19H,1H3,(H,14,15,17)/b18-16+.
What are the key properties of 1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol?
1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol has a molecular weight of 253.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 135588648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).