4-(phthalazin-1-ylamino)phenol

C14H11N3O — CID 4131718

IUPAC4-(phthalazin-1-ylamino)phenol
SMILESOc1ccc(Nc2nncc3ccccc23)cc1
InChIInChI=1S/C14H11N3O/c18-12-7-5-11(6-8-12)16-14-13-4-2-1-3-10(13)9-15-17-14/h1-9,18H,(H,16,17)
InChIKeyQOBATJOKRUDYFZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.08
Rot. Bonds2

About 4-(phthalazin-1-ylamino)phenol

4-(phthalazin-1-ylamino)phenol (PubChem CID 4131718) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(phthalazin-1-ylamino)phenol.

Molecular Properties

Compound Name4-(phthalazin-1-ylamino)phenol
PubChem CID4131718
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-(phthalazin-1-ylamino)phenol
SMILESOc1ccc(Nc2nncc3ccccc23)cc1
InChIInChI=1S/C14H11N3O/c18-12-7-5-11(6-8-12)16-14-13-4-2-1-3-10(13)9-15-17-14/h1-9,18H,(H,16,17)
InChIKeyQOBATJOKRUDYFZ-UHFFFAOYSA-N
XLogP3.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(phthalazin-1-ylamino)benzoic acid
CID 60860552
N-(1H-indol-5-yl)phthalazin-1-amine
CID 59373118
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
CID 140599283
2-(phthalazin-1-ylamino)acetamide
CID 43395562
N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine
CID 63121028
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
2-(phthalazin-1-ylamino)cyclohexan-1-ol
CID 62358706
[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
CID 107232258
3-(phthalazin-1-ylamino)propanoic acid
CID 43419849

Frequently Asked Questions

What is the IUPAC name of 4-(phthalazin-1-ylamino)phenol?
The IUPAC name of 4-(phthalazin-1-ylamino)phenol (CID 4131718) is 4-(phthalazin-1-ylamino)phenol.
What is the SMILES notation for 4-(phthalazin-1-ylamino)phenol?
The canonical SMILES for 4-(phthalazin-1-ylamino)phenol is Oc1ccc(Nc2nncc3ccccc23)cc1.
What is the InChIKey of 4-(phthalazin-1-ylamino)phenol?
The InChIKey is QOBATJOKRUDYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-12-7-5-11(6-8-12)16-14-13-4-2-1-3-10(13)9-15-17-14/h1-9,18H,(H,16,17).
What are the key properties of 4-(phthalazin-1-ylamino)phenol?
4-(phthalazin-1-ylamino)phenol has a molecular weight of 237.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phthalazin-1-ylamino)phenol is sourced from PubChem (CID 4131718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).