2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol

C10H10N4O2 — CID 3808113

IUPAC2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol
SMILESCOc1cccc(C=Nc2ncn[nH]2)c1O
InChIInChI=1S/C10H10N4O2/c1-16-8-4-2-3-7(9(8)15)5-11-10-12-6-13-14-10/h2-6,15H,1H3,(H,12,13,14)
InChIKeyJYBASBWQSXENON-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.27
Rot. Bonds3

About 2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol

2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol (PubChem CID 3808113) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol
PubChem CID3808113
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol
SMILESCOc1cccc(C=Nc2ncn[nH]2)c1O
InChIInChI=1S/C10H10N4O2/c1-16-8-4-2-3-7(9(8)15)5-11-10-12-6-13-14-10/h2-6,15H,1H3,(H,12,13,14)
InChIKeyJYBASBWQSXENON-UHFFFAOYSA-N
XLogP1.27
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
The IUPAC name of 2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol (CID 3808113) is 2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol.
What is the SMILES notation for 2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
The canonical SMILES for 2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol is COc1cccc(C=Nc2ncn[nH]2)c1O.
What is the InChIKey of 2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
The InChIKey is JYBASBWQSXENON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-16-8-4-2-3-7(9(8)15)5-11-10-12-6-13-14-10/h2-6,15H,1H3,(H,12,13,14).
What are the key properties of 2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol has a molecular weight of 218.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol is sourced from PubChem (CID 3808113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).