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

C18H14N6O2 — CID 135490772

IUPAC4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc3nnc(-c4ccccc4)n3n2)c(O)c1
InChIInChI=1S/C18H14N6O2/c25-14-7-6-13(15(26)10-14)11-19-20-16-8-9-17-21-22-18(24(17)23-16)12-4-2-1-3-5-12/h1-11,25-26H,(H,20,23)/b19-11+
InChIKeyZJVWCIHQERXQPP-YBFXNURJSA-N
MW346.35 g/mol
LogP2.65
Rot. Bonds4

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

4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135490772) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135490772
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc3nnc(-c4ccccc4)n3n2)c(O)c1
InChIInChI=1S/C18H14N6O2/c25-14-7-6-13(15(26)10-14)11-19-20-16-8-9-17-21-22-18(24(17)23-16)12-4-2-1-3-5-12/h1-11,25-26H,(H,20,23)/b19-11+
InChIKeyZJVWCIHQERXQPP-YBFXNURJSA-N
XLogP2.65
TPSA107.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.65
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

2-methoxy-4-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]phenol
CID 4919149
4-[(E)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 135607936
4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 2847290
4-bromo-2-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]phenol
CID 5294949
N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 170856257
4-[(Z)-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazinylidene]methyl]-2-ethoxyphenol
CID 135857143
3-(4-bromophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 6164575
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136919744
2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135398939
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3762135
4-[(E)-[[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 137185504

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135490772) is 4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2ccc3nnc(-c4ccccc4)n3n2)c(O)c1.
What is the InChIKey of 4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is ZJVWCIHQERXQPP-YBFXNURJSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-14-7-6-13(15(26)10-14)11-19-20-16-8-9-17-21-22-18(24(17)23-16)12-4-2-1-3-5-12/h1-11,25-26H,(H,20,23)/b19-11+.
What are the key properties of 4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 346.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135490772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).