1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine

C14H17N3 — CID 105083769

IUPAC1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1cc(C)nnc1C
InChIInChI=1S/C14H17N3/c1-10-9-13(11(2)17-16-10)14(15-3)12-7-5-4-6-8-12/h4-9,14-15H,1-3H3
InChIKeyDBQAMQIXPATHJO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.40
Rot. Bonds3

About 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine

1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine (PubChem CID 105083769) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine
PubChem CID105083769
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1cc(C)nnc1C
InChIInChI=1S/C14H17N3/c1-10-9-13(11(2)17-16-10)14(15-3)12-7-5-4-6-8-12/h4-9,14-15H,1-3H3
InChIKeyDBQAMQIXPATHJO-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine
CID 105083698
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187892
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105153970
1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 105148320
1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine
CID 105143857
1-(3,6-dimethylpyridazin-4-yl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 105143499
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185509
N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098171
[(3,6-dimethylpyridazin-4-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285775
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062
N-[(3-chlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]propan-1-amine
CID 105106643
N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105142190

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine (CID 105083769) is 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine?
The InChIKey is DBQAMQIXPATHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-9-13(11(2)17-16-10)14(15-3)12-7-5-4-6-8-12/h4-9,14-15H,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine?
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 105083769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).