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

C10H10N4O2 — CID 5337941

IUPAC2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
SMILESCOc1ccc(/C=N/n2cnnc2)cc1O
InChIInChI=1S/C10H10N4O2/c1-16-10-3-2-8(4-9(10)15)5-13-14-6-11-12-7-14/h2-7,15H,1H3/b13-5+
InChIKeyKWASAVJCOYPJHY-WLRTZDKTSA-N
MW218.22 g/mol
LogP0.87
Rot. Bonds3

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

2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol (PubChem CID 5337941) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
PubChem CID5337941
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
SMILESCOc1ccc(/C=N/n2cnnc2)cc1O
InChIInChI=1S/C10H10N4O2/c1-16-10-3-2-8(4-9(10)15)5-13-14-6-11-12-7-14/h2-7,15H,1H3/b13-5+
InChIKeyKWASAVJCOYPJHY-WLRTZDKTSA-N
XLogP0.87
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxy-4-((4H-1,2,4-triazol-4-ylimino)methyl)phenol
CID 135449248
N-{(E)-[3-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5343621
2-Methoxy-4-((4H-1,2,4-triazol-4-ylimino)methyl)phenol
CID 135421763
5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
CID 6859201
Acetic acid 4-[(4-amino-4H-[1,2,4]triazol-3-yl)-hydrazonomethyl]-2-methoxy-phenyl ester
CID 56642963
4-[(4-Amino-5-ethyl-4H-[1,2,4]triazol-3-yl)-hydrazonomethyl]-2-methoxy-phenol
CID 135547284
N-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 6858631
(4Z)-2-bromo-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methylidene]cyclohexa-2,5-dien-1-one
CID 135415514
(E)-1-(1,3-benzodioxol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5338675
N-[(E)-(3-ethoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5350331
N-{3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-4H-1,2,4-triazol-4-amine
CID 6858398
(NE)-N-[(4-Ethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858418

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol?
The IUPAC name of 2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol (CID 5337941) is 2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol?
The canonical SMILES for 2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol is COc1ccc(/C=N/n2cnnc2)cc1O.
What is the InChIKey of 2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol?
The InChIKey is KWASAVJCOYPJHY-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-16-10-3-2-8(4-9(10)15)5-13-14-6-11-12-7-14/h2-7,15H,1H3/b13-5+.
What are the key properties of 2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol?
2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol has a molecular weight of 218.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(E)-1,2,4-triazol-4-yliminomethyl]phenol is sourced from PubChem (CID 5337941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).