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

C10H13N5O — CID 137206048

IUPACmethane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol
SMILESC.Cc1ccc(O)c(/N=N/c2ncn[nH]2)c1
InChIInChI=1S/C9H9N5O.CH4/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);1H4/b14-12+;
InChIKeyULGCORIXFINNJD-UNGNXWFZSA-N
MW219.25 g/mol
LogP2.87
Rot. Bonds2

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

methane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol (PubChem CID 137206048) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is methane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol.

Molecular Properties

Compound Namemethane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol
PubChem CID137206048
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Namemethane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol
SMILESC.Cc1ccc(O)c(/N=N/c2ncn[nH]2)c1
InChIInChI=1S/C9H9N5O.CH4/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);1H4/b14-12+;
InChIKeyULGCORIXFINNJD-UNGNXWFZSA-N
XLogP2.87
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.87
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 methane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol?
The IUPAC name of methane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol (CID 137206048) is methane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol.
What is the SMILES notation for methane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol?
The canonical SMILES for methane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol is C.Cc1ccc(O)c(/N=N/c2ncn[nH]2)c1.
What is the InChIKey of methane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol?
The InChIKey is ULGCORIXFINNJD-UNGNXWFZSA-N. The full InChI is InChI=1S/C9H9N5O.CH4/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);1H4/b14-12+;.
What are the key properties of methane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol?
methane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol has a molecular weight of 219.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol is sourced from PubChem (CID 137206048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).