4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol

C16H12N6O — CID 135630269

IUPAC4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/Nc2nn3cnnc3c3ccccc23)cc1
InChIInChI=1S/C16H12N6O/c23-12-7-5-11(6-8-12)9-17-19-15-13-3-1-2-4-14(13)16-20-18-10-22(16)21-15/h1-10,23H,(H,19,21)/b17-9+
InChIKeyOBNJAHDNGMXYCP-RQZCQDPDSA-N
MW304.31 g/mol
LogP2.43
Rot. Bonds3

About 4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol

4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol (PubChem CID 135630269) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is 4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
PubChem CID135630269
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/Nc2nn3cnnc3c3ccccc23)cc1
InChIInChI=1S/C16H12N6O/c23-12-7-5-11(6-8-12)9-17-19-15-13-3-1-2-4-14(13)16-20-18-10-22(16)21-15/h1-10,23H,(H,19,21)/b17-9+
InChIKeyOBNJAHDNGMXYCP-RQZCQDPDSA-N
XLogP2.43
TPSA87.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

Phenol, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
CID 3071213
Phenol, 4-(6-(bis(2-methoxyethyl)amino)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
CID 3087236
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
(E)-3-((2-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)hydrazono)methyl)phenol
CID 6868331
2-Ethoxy-4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl-hydrazonomethyl)-phenol
CID 135549809
4-[7-Amino-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol
CID 135470411
4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 135750268
4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol
CID 135947973
6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol
CID 135947979
4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 164611345
4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol
CID 164627319
4-(3-Methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenol
CID 1859733

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol (CID 135630269) is 4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol is Oc1ccc(/C=N/Nc2nn3cnnc3c3ccccc23)cc1.
What is the InChIKey of 4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol?
The InChIKey is OBNJAHDNGMXYCP-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H12N6O/c23-12-7-5-11(6-8-12)9-17-19-15-13-3-1-2-4-14(13)16-20-18-10-22(16)21-15/h1-10,23H,(H,19,21)/b17-9+.
What are the key properties of 4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol?
4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol has a molecular weight of 304.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135630269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).