[5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine

C17H23N3O — CID 80508299

IUPAC[5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine
SMILESCCc1ccc(Oc2nnc(CC)c(CC)c2CN)cc1
InChIInChI=1S/C17H23N3O/c1-4-12-7-9-13(10-8-12)21-17-15(11-18)14(5-2)16(6-3)19-20-17/h7-10H,4-6,11,18H2,1-3H3
InChIKeyQFSMNLHKCLDQEU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.41
Rot. Bonds6

About [5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine

[5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine (PubChem CID 80508299) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine
PubChem CID80508299
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine
SMILESCCc1ccc(Oc2nnc(CC)c(CC)c2CN)cc1
InChIInChI=1S/C17H23N3O/c1-4-12-7-9-13(10-8-12)21-17-15(11-18)14(5-2)16(6-3)19-20-17/h7-10H,4-6,11,18H2,1-3H3
InChIKeyQFSMNLHKCLDQEU-UHFFFAOYSA-N
XLogP3.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5,6-diethyl-3-(3-ethylphenoxy)pyridazin-4-yl]methanamine
CID 80508307
5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile
CID 80506109
[5,6-diethyl-3-(1-ethylpyrazol-4-yl)oxypyridazin-4-yl]methanamine
CID 116800123
[3-(2-bromo-4-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508317
[5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine
CID 107655134
[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508376
[3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508325
2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol
CID 80507766
[3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine
CID 81341711
3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80514538
5,6-diethyl-3-(4-iodophenoxy)pyridazine-4-carboxylic acid
CID 80515525
[5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine
CID 104559843

Frequently Asked Questions

What is the IUPAC name of [5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine (CID 80508299) is [5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine is CCc1ccc(Oc2nnc(CC)c(CC)c2CN)cc1.
What is the InChIKey of [5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine?
The InChIKey is QFSMNLHKCLDQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-12-7-9-13(10-8-12)21-17-15(11-18)14(5-2)16(6-3)19-20-17/h7-10H,4-6,11,18H2,1-3H3.
What are the key properties of [5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine?
[5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80508299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).