1-methyl-4-(4-nitrophenoxy)phthalazine

C15H11N3O3 — CID 2869470

IUPAC1-methyl-4-(4-nitrophenoxy)phthalazine
SMILESCc1nnc(Oc2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C15H11N3O3/c1-10-13-4-2-3-5-14(13)15(17-16-10)21-12-8-6-11(7-9-12)18(19)20/h2-9H,1H3
InChIKeyRIUSHQQEYWLWDR-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.64
Rot. Bonds3

About 1-methyl-4-(4-nitrophenoxy)phthalazine

1-methyl-4-(4-nitrophenoxy)phthalazine (PubChem CID 2869470) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-methyl-4-(4-nitrophenoxy)phthalazine.

Molecular Properties

Compound Name1-methyl-4-(4-nitrophenoxy)phthalazine
PubChem CID2869470
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name1-methyl-4-(4-nitrophenoxy)phthalazine
SMILESCc1nnc(Oc2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C15H11N3O3/c1-10-13-4-2-3-5-14(13)15(17-16-10)21-12-8-6-11(7-9-12)18(19)20/h2-9H,1H3
InChIKeyRIUSHQQEYWLWDR-UHFFFAOYSA-N
XLogP3.64
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-4-(4-nitrophenoxy)phthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Methylphenoxy)-4-phenylphthalazine
CID 6413250
3,4-Bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine
CID 10224533
1-(4-Methoxyphenoxy)-4-methylphthalazine
CID 2939344
1-Butoxy-4-(4-ethoxyphenyl)phthalazine
CID 6407038
3,4-Bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine
CID 18760029
1-Methyl-4-phenoxyphthalazine
CID 657694
1-(2-Fluorophenoxy)-4-methylphthalazine
CID 2998081
Acetamide, N-[4-(4-methyl-1-phthalazinyloxy)phenyl]-
CID 626209
1-Phenoxy-4-phenylphthalazine
CID 3102749
Benzenamine, 4-(1-phthalazinyloxy)-
CID 6410689
1-Ethoxy-4-(4-ethoxyphenyl)phthalazine
CID 2940201
1,4-Diphenoxyphthalazine
CID 5709722

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-nitrophenoxy)phthalazine?
The IUPAC name of 1-methyl-4-(4-nitrophenoxy)phthalazine (CID 2869470) is 1-methyl-4-(4-nitrophenoxy)phthalazine.
What is the SMILES notation for 1-methyl-4-(4-nitrophenoxy)phthalazine?
The canonical SMILES for 1-methyl-4-(4-nitrophenoxy)phthalazine is Cc1nnc(Oc2ccc([N+](=O)[O-])cc2)c2ccccc12.
What is the InChIKey of 1-methyl-4-(4-nitrophenoxy)phthalazine?
The InChIKey is RIUSHQQEYWLWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-10-13-4-2-3-5-14(13)15(17-16-10)21-12-8-6-11(7-9-12)18(19)20/h2-9H,1H3.
What are the key properties of 1-methyl-4-(4-nitrophenoxy)phthalazine?
1-methyl-4-(4-nitrophenoxy)phthalazine has a molecular weight of 281.27 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-nitrophenoxy)phthalazine is sourced from PubChem (CID 2869470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).