4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one

C16H14N4O2 — CID 135850200

IUPAC4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(CN/N=C\c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C16H14N4O2/c21-12-7-5-11(6-8-12)9-17-18-10-15-13-3-1-2-4-14(13)16(22)20-19-15/h1-9,18,21H,10H2,(H,20,22)/b17-9-
InChIKeyWKRWEOVBGMXGTB-MFOYZWKCSA-N
MW294.31 g/mol
LogP1.75
Rot. Bonds4

About 4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one

4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one (PubChem CID 135850200) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one
PubChem CID135850200
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(CN/N=C\c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C16H14N4O2/c21-12-7-5-11(6-8-12)9-17-18-10-15-13-3-1-2-4-14(13)16(22)20-19-15/h1-9,18,21H,10H2,(H,20,22)/b17-9-
InChIKeyWKRWEOVBGMXGTB-MFOYZWKCSA-N
XLogP1.75
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one (CID 135850200) is 4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one is O=c1[nH]nc(CN/N=C\c2ccc(O)cc2)c2ccccc12.
What is the InChIKey of 4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one?
The InChIKey is WKRWEOVBGMXGTB-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-12-7-5-11(6-8-12)9-17-18-10-15-13-3-1-2-4-14(13)16(22)20-19-15/h1-9,18,21H,10H2,(H,20,22)/b17-9-.
What are the key properties of 4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one?
4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one has a molecular weight of 294.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 135850200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).