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

C10H9IN4O2 — CID 135411960

IUPAC2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
SMILESCOc1cc(/C=N/n2cnnc2)cc(I)c1O
InChIInChI=1S/C10H9IN4O2/c1-17-9-3-7(2-8(11)10(9)16)4-14-15-5-12-13-6-15/h2-6,16H,1H3/b14-4+
InChIKeyLUYJJBGVWZBKSL-LNKIKWGQSA-N
MW344.11 g/mol
LogP1.48
Rot. Bonds3

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

2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol (PubChem CID 135411960) has the molecular formula C10H9IN4O2 and a molecular weight of 344.11 g/mol. Its IUPAC name is 2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol.

Molecular Properties

Compound Name2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
PubChem CID135411960
Molecular FormulaC10H9IN4O2
Molecular Weight344.11 g/mol
Exact Mass343.98
IUPAC Name2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
SMILESCOc1cc(/C=N/n2cnnc2)cc(I)c1O
InChIInChI=1S/C10H9IN4O2/c1-17-9-3-7(2-8(11)10(9)16)4-14-15-5-12-13-6-15/h2-6,16H,1H3/b14-4+
InChIKeyLUYJJBGVWZBKSL-LNKIKWGQSA-N
XLogP1.48
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.11
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-Ethoxy-4-((4H-1,2,4-triazol-4-ylimino)methyl)phenol
CID 135449248
2-Methoxy-4-((4H-1,2,4-triazol-4-ylimino)methyl)phenol
CID 135421763
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
2-({4-[(3,4-dimethoxybenzylidene)amino]-4H-1,2,4-triazol-3-yl}thio)ethanol
CID 6897966
N-[4-(allyloxy)-3-methoxybenzylidene]-1H-1,2,4-triazol-1-amine
CID 56642820
2-ethoxy-6-(prop-2-en-1-yl)-4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenol
CID 135449195
4-((E)-(2-(4-(((E)-4-Hydroxy-3-methoxybenzylidene)amino)-4H-1,2,4-triazol-3-yl)hydrazono)methyl)-2-methoxyphenol
CID 135452779
2-methoxy-4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl dimethylcarbamate
CID 9555288

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol?
The IUPAC name of 2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol (CID 135411960) is 2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol.
What is the SMILES notation for 2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol?
The canonical SMILES for 2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol is COc1cc(/C=N/n2cnnc2)cc(I)c1O.
What is the InChIKey of 2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol?
The InChIKey is LUYJJBGVWZBKSL-LNKIKWGQSA-N. The full InChI is InChI=1S/C10H9IN4O2/c1-17-9-3-7(2-8(11)10(9)16)4-14-15-5-12-13-6-15/h2-6,16H,1H3/b14-4+.
What are the key properties of 2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol?
2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol has a molecular weight of 344.11 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol is sourced from PubChem (CID 135411960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).