N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine

C15H19N3O — CID 648956

IUPACN-(3-ethoxypropyl)-6-phenylpyridazin-3-amine
SMILESCCOCCCNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C15H19N3O/c1-2-19-12-6-11-16-15-10-9-14(17-18-15)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,16,18)
InChIKeyICOUCLBABPQCFU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.98
Rot. Bonds7

About N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine

N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine (PubChem CID 648956) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-phenylpyridazin-3-amine
PubChem CID648956
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-ethoxypropyl)-6-phenylpyridazin-3-amine
SMILESCCOCCCNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C15H19N3O/c1-2-19-12-6-11-16-15-10-9-14(17-18-15)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,16,18)
InChIKeyICOUCLBABPQCFU-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Minaprine
CID 4199
Minaprine Hydrochloride
CID 33254
SR 95191
CID 72119
4-Morpholineethanamine, N-(4,6-diphenyl-3-pyridazinyl)-
CID 6410811
N-[2-(4-morpholinyl)ethyl]-6,7-dihydro-5H-benzo[2,3]cyclohepta[2,4-d]pyridazin-3-amine
CID 195165
4-Morpholineethanamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, monohydrochloride
CID 6410797
N-benzyl-N'-(3-methylphenyl)pyridazine-3,6-diamine
CID 6415561
N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422380
2-[(4-Methyl-1-phthalazinyl)amino]ethanol
CID 6408686
N,N-Dimethyl-6-phenyl-3-pyridazinamine
CID 645991
[2-(1-Benzyl-piperidin-4-yl)-ethyl]-(6-phenyl-pyridazin-3-yl)-amine; hydrochloride
CID 10067904
3-(4-Methylpiperazin-1-yl)-6-phenylpyridazine
CID 10354969

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine?
The IUPAC name of N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine (CID 648956) is N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine?
The canonical SMILES for N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine is CCOCCCNc1ccc(-c2ccccc2)nn1.
What is the InChIKey of N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine?
The InChIKey is ICOUCLBABPQCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-19-12-6-11-16-15-10-9-14(17-18-15)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,16,18).
What are the key properties of N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine?
N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine is sourced from PubChem (CID 648956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).