[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine

C15H19N3O2 — CID 61098225

IUPAC[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine
SMILESCc1nnc(OCCOc2ccccc2)c(CN)c1C
InChIInChI=1S/C15H19N3O2/c1-11-12(2)17-18-15(14(11)10-16)20-9-8-19-13-6-4-3-5-7-13/h3-7H,8-10,16H2,1-2H3
InChIKeyNNWLCZLBCMBQQO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.01
Rot. Bonds6

About [5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine

[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine (PubChem CID 61098225) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine
PubChem CID61098225
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine
SMILESCc1nnc(OCCOc2ccccc2)c(CN)c1C
InChIInChI=1S/C15H19N3O2/c1-11-12(2)17-18-15(14(11)10-16)20-9-8-19-13-6-4-3-5-7-13/h3-7H,8-10,16H2,1-2H3
InChIKeyNNWLCZLBCMBQQO-UHFFFAOYSA-N
XLogP2.01
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine 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

(3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine
CID 61097427
[3-(2-ethoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096422
[3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097023
5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117
[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097824
[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
CID 61096219
[3-(3,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097021
[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096824
[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine
CID 105390892
2-phenoxyethylmercury
CID 163598363
diethyl(2-phenoxyethoxy)silane
CID 150241657
3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine
CID 105368231

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine (CID 61098225) is [5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine is Cc1nnc(OCCOc2ccccc2)c(CN)c1C.
What is the InChIKey of [5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine?
The InChIKey is NNWLCZLBCMBQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-12(2)17-18-15(14(11)10-16)20-9-8-19-13-6-4-3-5-7-13/h3-7H,8-10,16H2,1-2H3.
What are the key properties of [5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine?
[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 61098225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).