dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium

C23H26N3O3+ — CID 4583627

IUPACdimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)OCCC[NH+](C)C)c1=O
InChIInChI=1S/C23H25N3O3/c1-25(2)15-10-16-29-23(28)20-19(17-11-6-4-7-12-17)21(24-26(3)22(20)27)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16H2,1-3H3/p+1
InChIKeyPHZYIQZXMUGUSS-UHFFFAOYSA-O
MW392.48 g/mol
LogP1.81
Rot. Bonds7

About dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium

dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium (PubChem CID 4583627) has the molecular formula C23H26N3O3+ and a molecular weight of 392.48 g/mol. Its IUPAC name is dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium
PubChem CID4583627
Molecular FormulaC23H26N3O3+
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Namedimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)OCCC[NH+](C)C)c1=O
InChIInChI=1S/C23H25N3O3/c1-25(2)15-10-16-29-23(28)20-19(17-11-6-4-7-12-17)21(24-26(3)22(20)27)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16H2,1-3H3/p+1
InChIKeyPHZYIQZXMUGUSS-UHFFFAOYSA-O
XLogP1.81
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium?
The IUPAC name of dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium (CID 4583627) is dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium.
What is the SMILES notation for dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium?
The canonical SMILES for dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium is Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)OCCC[NH+](C)C)c1=O.
What is the InChIKey of dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium?
The InChIKey is PHZYIQZXMUGUSS-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3O3/c1-25(2)15-10-16-29-23(28)20-19(17-11-6-4-7-12-17)21(24-26(3)22(20)27)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16H2,1-3H3/p+1.
What are the key properties of dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium?
dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium has a molecular weight of 392.48 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium is sourced from PubChem (CID 4583627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).