5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol

C8H10N2O3 — CID 136661640

IUPAC5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol
SMILESCN/N=C/c1cc(O)c(O)cc1O
InChIInChI=1S/C8H10N2O3/c1-9-10-4-5-2-7(12)8(13)3-6(5)11/h2-4,9,11-13H,1H3/b10-4+
InChIKeyYICYLDQZWYSANX-ONNFQVAWSA-N
MW182.18 g/mol
LogP0.36
Rot. Bonds2

About 5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol

5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol (PubChem CID 136661640) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol.

Molecular Properties

Compound Name5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol
PubChem CID136661640
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol
SMILESCN/N=C/c1cc(O)c(O)cc1O
InChIInChI=1S/C8H10N2O3/c1-9-10-4-5-2-7(12)8(13)3-6(5)11/h2-4,9,11-13H,1H3/b10-4+
InChIKeyYICYLDQZWYSANX-ONNFQVAWSA-N
XLogP0.36
TPSA85.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol 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

(1E,1?E)-O,O?-(Ethane-1,2-diyl)bis[2,4,5-trihydroxybenzaldehyde oxime] (5)
CID 136661637
(E)-2,4,5-Trihydroxybenzaldehyde O-methyl oxime (8)
CID 136661638
1-hydroxy-3-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]urea
CID 135542486
(E)-2,4,5-Trihydroxybenzaldehyde oxime (7)
CID 136068748
(E)-2,4,5-Trihydroxybenzaldehyde O-benzyl oxime (9)
CID 136661639
(E)-3,4,5-Trihydroxybenzaldehyde O-methyl oxime (17)
CID 136661642
1-hydroxy-2-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 135542897
[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]thiourea
CID 135857443
1,2-bis[(E)-(3,4,5-trihydroxyphenyl)methylideneamino]guanidine
CID 136313141
1,2-bis[(E)-(2,4,5-trihydroxyphenyl)methylideneamino]guanidine
CID 136932708
1,2-bis[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 136932710
2,6-dimethoxy-4-[(E)-(methylhydrazinylidene)methyl]phenol
CID 135609459

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol?
The IUPAC name of 5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol (CID 136661640) is 5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol.
What is the SMILES notation for 5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol?
The canonical SMILES for 5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol is CN/N=C/c1cc(O)c(O)cc1O.
What is the InChIKey of 5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol?
The InChIKey is YICYLDQZWYSANX-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-9-10-4-5-2-7(12)8(13)3-6(5)11/h2-4,9,11-13H,1H3/b10-4+.
What are the key properties of 5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol?
5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol has a molecular weight of 182.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(methylhydrazinylidene)methyl]benzene-1,2,4-triol is sourced from PubChem (CID 136661640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).