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

C17H14N6O2 — CID 135956141

IUPAC2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
SMILESCOc1cccc(/C=N\Nc2nn3cnnc3c3ccccc23)c1O
InChIInChI=1S/C17H14N6O2/c1-25-14-8-4-5-11(15(14)24)9-18-20-16-12-6-2-3-7-13(12)17-21-19-10-23(17)22-16/h2-10,24H,1H3,(H,20,22)/b18-9-
InChIKeyWDHBIANOOALAIX-NVMNQCDNSA-N
MW334.34 g/mol
LogP2.44
Rot. Bonds4

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

2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol (PubChem CID 135956141) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
PubChem CID135956141
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
SMILESCOc1cccc(/C=N\Nc2nn3cnnc3c3ccccc23)c1O
InChIInChI=1S/C17H14N6O2/c1-25-14-8-4-5-11(15(14)24)9-18-20-16-12-6-2-3-7-13(12)17-21-19-10-23(17)22-16/h2-10,24H,1H3,(H,20,22)/b18-9-
InChIKeyWDHBIANOOALAIX-NVMNQCDNSA-N
XLogP2.44
TPSA96.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

N-[(E)-(4-methylphenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 6863423
N-(pyridin-2-ylmethylideneamino)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 1387873
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411529
2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol
CID 136832260
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135650334
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
N-[(4-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 1416870
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol
CID 137279180

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol (CID 135956141) is 2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol is COc1cccc(/C=N\Nc2nn3cnnc3c3ccccc23)c1O.
What is the InChIKey of 2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol?
The InChIKey is WDHBIANOOALAIX-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-25-14-8-4-5-11(15(14)24)9-18-20-16-12-6-2-3-7-13(12)17-21-19-10-23(17)22-16/h2-10,24H,1H3,(H,20,22)/b18-9-.
What are the key properties of 2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol?
2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol has a molecular weight of 334.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135956141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).