1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine

C14H17N3 — CID 82288036

IUPAC1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C14H17N3/c1-10-4-5-12(8-11(10)2)14-7-6-13(9-15-3)16-17-14/h4-8,15H,9H2,1-3H3
InChIKeyHBQACTFMBVFRED-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.48
Rot. Bonds3

About 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine

1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine (PubChem CID 82288036) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine
PubChem CID82288036
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C14H17N3/c1-10-4-5-12(8-11(10)2)14-7-6-13(9-15-3)16-17-14/h4-8,15H,9H2,1-3H3
InChIKeyHBQACTFMBVFRED-UHFFFAOYSA-N
XLogP2.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]methanamine
CID 82284420
1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine
CID 95465136
N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970458
5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298804
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
1-[6-(2,4-dimethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine
CID 95475627
N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine
CID 163382956
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 114997554
3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
CID 43937021
6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one
CID 82446687
1-[3-(3,4-dimethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096758

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine (CID 82288036) is 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine is CNCc1ccc(-c2ccc(C)c(C)c2)nn1.
What is the InChIKey of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine?
The InChIKey is HBQACTFMBVFRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-4-5-12(8-11(10)2)14-7-6-13(9-15-3)16-17-14/h4-8,15H,9H2,1-3H3.
What are the key properties of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine?
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 82288036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).