5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione

C9H9N5OS — CID 135608028

IUPAC5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESOc1ccccc1/C=N/Nc1nc(=S)[nH][nH]1
InChIInChI=1S/C9H9N5OS/c15-7-4-2-1-3-6(7)5-10-12-8-11-9(16)14-13-8/h1-5,15H,(H3,11,12,13,14,16)/b10-5+
InChIKeyUDOBGCYHJCUAPV-BJMVGYQFSA-N
MW235.27 g/mol
LogP1.62
Rot. Bonds3

About 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione

5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 135608028) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID135608028
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESOc1ccccc1/C=N/Nc1nc(=S)[nH][nH]1
InChIInChI=1S/C9H9N5OS/c15-7-4-2-1-3-6(7)5-10-12-8-11-9(16)14-13-8/h1-5,15H,(H3,11,12,13,14,16)/b10-5+
InChIKeyUDOBGCYHJCUAPV-BJMVGYQFSA-N
XLogP1.62
TPSA89.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 136688463
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 2854266
2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136767846
2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136787959
2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 135454395
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136672419
2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 136672918
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 3134920
2-[(E)-[[4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 169487947
2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
CID 4014004

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione (CID 135608028) is 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione is Oc1ccccc1/C=N/Nc1nc(=S)[nH][nH]1.
What is the InChIKey of 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is UDOBGCYHJCUAPV-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H9N5OS/c15-7-4-2-1-3-6(7)5-10-12-8-11-9(16)14-13-8/h1-5,15H,(H3,11,12,13,14,16)/b10-5+.
What are the key properties of 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione?
5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 235.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 135608028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).