4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol

C9H9N5O — CID 3650318

IUPAC4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol
SMILESCc1ccc(O)c(/N=N/c2ncn[nH]2)c1
InChIInChI=1S/C9H9N5O/c1-6-2-3-8(15)7(4-6)12-14-9-10-5-11-13-9/h2-5,15H,1H3,(H,10,11,13)/b14-12+
InChIKeyJWYPYJVEWLPCGZ-WYMLVPIESA-N
MW203.21 g/mol
LogP2.23
Rot. Bonds2

About 4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol

4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol (PubChem CID 3650318) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol.

Molecular Properties

Compound Name4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol
PubChem CID3650318
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol
SMILESCc1ccc(O)c(/N=N/c2ncn[nH]2)c1
InChIInChI=1S/C9H9N5O/c1-6-2-3-8(15)7(4-6)12-14-9-10-5-11-13-9/h2-5,15H,1H3,(H,10,11,13)/b14-12+
InChIKeyJWYPYJVEWLPCGZ-WYMLVPIESA-N
XLogP2.23
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.23
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 4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol?
The IUPAC name of 4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol (CID 3650318) is 4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol.
What is the SMILES notation for 4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol?
The canonical SMILES for 4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol is Cc1ccc(O)c(/N=N/c2ncn[nH]2)c1.
What is the InChIKey of 4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol?
The InChIKey is JWYPYJVEWLPCGZ-WYMLVPIESA-N. The full InChI is InChI=1S/C9H9N5O/c1-6-2-3-8(15)7(4-6)12-14-9-10-5-11-13-9/h2-5,15H,1H3,(H,10,11,13)/b14-12+.
What are the key properties of 4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol?
4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol has a molecular weight of 203.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol is sourced from PubChem (CID 3650318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).