4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione

C14H11N5OS — CID 135630534

IUPAC4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
SMILESOc1ccccc1/C=N/n1c(-c2ccccn2)n[nH]c1=S
InChIInChI=1S/C14H11N5OS/c20-12-7-2-1-5-10(12)9-16-19-13(17-18-14(19)21)11-6-3-4-8-15-11/h1-9,20H,(H,18,21)/b16-9+
InChIKeyOXKNAHCVOLARDW-CXUHLZMHSA-N
MW297.34 g/mol
LogP2.59
Rot. Bonds3

About 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione

4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione (PubChem CID 135630534) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
PubChem CID135630534
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
SMILESOc1ccccc1/C=N/n1c(-c2ccccn2)n[nH]c1=S
InChIInChI=1S/C14H11N5OS/c20-12-7-2-1-5-10(12)9-16-19-13(17-18-14(19)21)11-6-3-4-8-15-11/h1-9,20H,(H,18,21)/b16-9+
InChIKeyOXKNAHCVOLARDW-CXUHLZMHSA-N
XLogP2.59
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione 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

2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxo-N-(2-pyridinylmethyl)acetamide
CID 135411993
1-[[(E)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-pyridin-3-ylthiourea
CID 135521485
2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenol
CID 918274
4-{[3-(2-methoxyphenyl)-2-propen-1-ylidene]amino}-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
CID 6866864
1-[[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-pyridin-3-ylthiourea
CID 135517192
3-{[(4-Hydroxyphenyl)methylidene]amino}-1-(pyridin-3-yl)thiourea
CID 135541140
4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
CID 6880451
4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione
CID 136264442
2-[(E)-(2-pyridylhydrazono)methyl]phenol
CID 135439965
5-(2-Methoxyphenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol
CID 9557839
4-((5-BR-2-Methoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
CID 9639024

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione (CID 135630534) is 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione is Oc1ccccc1/C=N/n1c(-c2ccccn2)n[nH]c1=S.
What is the InChIKey of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione?
The InChIKey is OXKNAHCVOLARDW-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11N5OS/c20-12-7-2-1-5-10(12)9-16-19-13(17-18-14(19)21)11-6-3-4-8-15-11/h1-9,20H,(H,18,21)/b16-9+.
What are the key properties of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione?
4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione has a molecular weight of 297.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 135630534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).