5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol

C15H12N4O3 — CID 140599283

IUPAC5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
SMILESOc1cc(O)c(C=NNc2nncc3ccccc23)cc1O
InChIInChI=1S/C15H12N4O3/c20-12-6-14(22)13(21)5-10(12)8-17-19-15-11-4-2-1-3-9(11)7-16-18-15/h1-8,20-22H,(H,18,19)
InChIKeyAHSUHSAZZJYUIC-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.19
Rot. Bonds3

About 5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol

5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol (PubChem CID 140599283) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol.

Molecular Properties

Compound Name5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
PubChem CID140599283
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
SMILESOc1cc(O)c(C=NNc2nncc3ccccc23)cc1O
InChIInChI=1S/C15H12N4O3/c20-12-6-14(22)13(21)5-10(12)8-17-19-15-11-4-2-1-3-9(11)7-16-18-15/h1-8,20-22H,(H,18,19)
InChIKeyAHSUHSAZZJYUIC-UHFFFAOYSA-N
XLogP2.19
TPSA110.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
CID 6799193
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine
CID 71820462
N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
CID 24792239
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]phthalazin-1-amine
CID 6148660
N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine
CID 6795834
2,3-dimethoxy-6-[(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6795285
2-[2-hydroxy-3-methoxy-5-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]-6-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenol;dihydrochloride
CID 135939746
2,3-dimethoxy-6-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6412287
N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939

Frequently Asked Questions

What is the IUPAC name of 5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol?
The IUPAC name of 5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol (CID 140599283) is 5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol.
What is the SMILES notation for 5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol?
The canonical SMILES for 5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol is Oc1cc(O)c(C=NNc2nncc3ccccc23)cc1O.
What is the InChIKey of 5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol?
The InChIKey is AHSUHSAZZJYUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-12-6-14(22)13(21)5-10(12)8-17-19-15-11-4-2-1-3-9(11)7-16-18-15/h1-8,20-22H,(H,18,19).
What are the key properties of 5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol?
5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol has a molecular weight of 296.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol is sourced from PubChem (CID 140599283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).