N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine

C15H21N4O+ — CID 8933089

IUPACN-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine
SMILESc1ccc2c(NCCC[NH+]3CCOCC3)nncc2c1
InChIInChI=1S/C15H20N4O/c1-2-5-14-13(4-1)12-17-18-15(14)16-6-3-7-19-8-10-20-11-9-19/h1-2,4-5,12H,3,6-11H2,(H,16,18)/p+1
InChIKeyVMASBEYIPKWMOA-UHFFFAOYSA-O
MW273.36 g/mol
LogP0.35
Rot. Bonds5

About N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine

N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine (PubChem CID 8933089) has the molecular formula C15H21N4O+ and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine
PubChem CID8933089
Molecular FormulaC15H21N4O+
Molecular Weight273.36 g/mol
Exact Mass273.17
IUPAC NameN-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine
SMILESc1ccc2c(NCCC[NH+]3CCOCC3)nncc2c1
InChIInChI=1S/C15H20N4O/c1-2-5-14-13(4-1)12-17-18-15(14)16-6-3-7-19-8-10-20-11-9-19/h1-2,4-5,12H,3,6-11H2,(H,16,18)/p+1
InChIKeyVMASBEYIPKWMOA-UHFFFAOYSA-O
XLogP0.35
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-Methylpiperidyl)phthalazine
CID 2999531
1-(4-Methylpiperazin-1-yl)phthalazine;hydrochloride
CID 45264843
4-(4-Phenylphthalazin-1-yl)morpholine
CID 559889
US11702418, Example 1-4
CID 156495830
US11702418, Example 1-27
CID 156527542
1-Phthalazinamine, N-(2-methoxyethyl)-, hydrochloride
CID 6410646
1-(Piperazin-1-yl)phthalazine
CID 14581396
4-(4-Methylphthalazin-1-yl)morpholine
CID 658331
1,4-Dimorpholinophthalazine
CID 727613
(3-Morpholin-4-ylpropyl)(6-phenylpyridazin-3-yl)amine
CID 10780436
1-N,4-N-bis[2-(2-aminoethoxy)ethyl]benzo[g]phthalazine-1,4-diamine
CID 44423694
N-[(4-chlorophenyl)methyl]-4-morpholin-4-ylphthalazin-1-amine
CID 50833818

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine?
The IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine (CID 8933089) is N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine.
What is the SMILES notation for N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine?
The canonical SMILES for N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine is c1ccc2c(NCCC[NH+]3CCOCC3)nncc2c1.
What is the InChIKey of N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine?
The InChIKey is VMASBEYIPKWMOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N4O/c1-2-5-14-13(4-1)12-17-18-15(14)16-6-3-7-19-8-10-20-11-9-19/h1-2,4-5,12H,3,6-11H2,(H,16,18)/p+1.
What are the key properties of N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine?
N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine has a molecular weight of 273.36 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine is sourced from PubChem (CID 8933089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).