N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine

C20H25N3O2 — CID 655276

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(NCCC3=CCCCC3)nn2)cc1OC
InChIInChI=1S/C20H25N3O2/c1-24-18-10-8-16(14-19(18)25-2)17-9-11-20(23-22-17)21-13-12-15-6-4-3-5-7-15/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,21,23)
InChIKeyXYLYYKRTFIOHRU-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.46
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine

N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine (PubChem CID 655276) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine
PubChem CID655276
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(NCCC3=CCCCC3)nn2)cc1OC
InChIInChI=1S/C20H25N3O2/c1-24-18-10-8-16(14-19(18)25-2)17-9-11-20(23-22-17)21-13-12-15-6-4-3-5-7-15/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,21,23)
InChIKeyXYLYYKRTFIOHRU-UHFFFAOYSA-N
XLogP4.46
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine 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

Sos1-IN-13
CID 156496067
6,7-Dimethoxy-2-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-1,2,3,4-tetrahydro-isoquinoline
CID 651832
Cyclohexyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 654107
(3,4-Dimethoxy-phenyl)-[6-(2-fluoro-phenyl)-pyridazin-3-yl]-amine
CID 6411226
(6-Benzo[1,3]dioxol-5-yl-4-methyl-pyridazin-3-yl)-(2-piperidin-1-yl-ethyl)-amine; hydrochloride
CID 10593268
6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride
CID 45262867
6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine;hydrate;dihydrochloride
CID 49860488
6,7-dimethoxy-N-[(1R)-1-phenylethyl]phthalazin-1-amine
CID 168290819
3,4-Bis-(4-methoxyphenyl)-6-(2,4-difluorophenylamino)pyridazine
CID 18760015
4-Piperidinol, 1-(6-(4-methoxyphenyl)-3-pyridazinyl)-
CID 3022105
4-Morpholineethanamine, N-(6-(4-methoxyphenyl)-4-methyl-3-pyridazinyl)-, dihydrochloride
CID 218080
[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-yl]-[4-(pyrrolidine-1-sulfonyl)-phenyl]-amine
CID 649546

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine (CID 655276) is N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine is COc1ccc(-c2ccc(NCCC3=CCCCC3)nn2)cc1OC.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine?
The InChIKey is XYLYYKRTFIOHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-24-18-10-8-16(14-19(18)25-2)17-9-11-20(23-22-17)21-13-12-15-6-4-3-5-7-15/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine?
N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine has a molecular weight of 339.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 655276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).