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

C10H10N4O2 — CID 135647166

IUPAC2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ncn[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)/b11-5+
InChIKeyJYBASBWQSXENON-VZUCSPMQSA-N
MW218.22 g/mol
LogP1.27
Rot. Bonds3

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

2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol (PubChem CID 135647166) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
PubChem CID135647166
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ncn[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)/b11-5+
InChIKeyJYBASBWQSXENON-VZUCSPMQSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol (CID 135647166) is 2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol is COc1cccc(/C=N/c2ncn[nH]2)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The InChIKey is JYBASBWQSXENON-VZUCSPMQSA-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)/b11-5+.
What are the key properties of 2-methoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
2-methoxy-6-[(E)-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-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol is sourced from PubChem (CID 135647166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).