4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol

C12H10N6O2 — CID 135607936

IUPAC4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc3nncn3n2)c(O)c1
InChIInChI=1S/C12H10N6O2/c19-9-2-1-8(10(20)5-9)6-13-15-11-3-4-12-16-14-7-18(12)17-11/h1-7,19-20H,(H,15,17)/b13-6+
InChIKeyCPNQZXJTMJFKAR-AWNIVKPZSA-N
MW270.25 g/mol
LogP0.98
Rot. Bonds3

About 4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol

4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol (PubChem CID 135607936) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol
PubChem CID135607936
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc3nncn3n2)c(O)c1
InChIInChI=1S/C12H10N6O2/c19-9-2-1-8(10(20)5-9)6-13-15-11-3-4-12-16-14-7-18(12)17-11/h1-7,19-20H,(H,15,17)/b13-6+
InChIKeyCPNQZXJTMJFKAR-AWNIVKPZSA-N
XLogP0.98
TPSA107.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135490772
N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 4072476
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135824362
4-[[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 3750524
5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 135412139
4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 4639041
4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136831564
4-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135504388
4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide
CID 135752062

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol (CID 135607936) is 4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2ccc3nncn3n2)c(O)c1.
What is the InChIKey of 4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol?
The InChIKey is CPNQZXJTMJFKAR-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H10N6O2/c19-9-2-1-8(10(20)5-9)6-13-15-11-3-4-12-16-14-7-18(12)17-11/h1-7,19-20H,(H,15,17)/b13-6+.
What are the key properties of 4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol?
4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol has a molecular weight of 270.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol is sourced from PubChem (CID 135607936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).