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

C9H8N4O — CID 135408690

IUPAC2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ncn[nH]1
InChIInChI=1S/C9H8N4O/c14-8-4-2-1-3-7(8)5-10-9-11-6-12-13-9/h1-6,14H,(H,11,12,13)/b10-5+
InChIKeyBKYHBHVZLQLDIP-BJMVGYQFSA-N
MW188.19 g/mol
LogP1.26
Rot. Bonds2

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

2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol (PubChem CID 135408690) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
PubChem CID135408690
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ncn[nH]1
InChIInChI=1S/C9H8N4O/c14-8-4-2-1-3-7(8)5-10-9-11-6-12-13-9/h1-6,14H,(H,11,12,13)/b10-5+
InChIKeyBKYHBHVZLQLDIP-BJMVGYQFSA-N
XLogP1.26
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-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

Related Compounds

4-(2-Hydroxybenzylideneamino)-4H-1,2,4-triazole
CID 135478834
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
CID 135576419
2-Allyl-6-([1,2,4]triazol-4-ylaminomethyl)-phenol
CID 929788
2-hydroxybenzaldehyde 1H-tetrazol-5-ylhydrazone
CID 135504452
4-[(4H-1,2,4-triazol-4-ylimino)methyl]benzenol
CID 135400472
2-bromo-6-[(E)-(1H-1,2,4-triazol-3-ylimino)methyl]phenol
CID 135635856
2-[(4H-1,2,4-triazol-4-ylamino)methyl]phenol
CID 661455
2-[(E)-[2-(4-Amino-5-methyl-4H-1,2,4-triazol-3-YL)hydrazin-1-ylidene]methyl]phenol
CID 135439758
2-(prop-2-en-1-yl)-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenol
CID 135449590
5-(2-Hydroxybenzylideneamino)-1H-tetrazole
CID 4337438
4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzene-1,3-diol
CID 135400284
2-[(E)-1,2,4-triazol-4-yliminomethyl]benzene-1,4-diol
CID 139202207

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The IUPAC name of 2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol (CID 135408690) is 2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol.
What is the SMILES notation for 2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The canonical SMILES for 2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol is Oc1ccccc1/C=N/c1ncn[nH]1.
What is the InChIKey of 2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The InChIKey is BKYHBHVZLQLDIP-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H8N4O/c14-8-4-2-1-3-7(8)5-10-9-11-6-12-13-9/h1-6,14H,(H,11,12,13)/b10-5+.
What are the key properties of 2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol has a molecular weight of 188.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol is sourced from PubChem (CID 135408690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).