4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one

C15H19N3O — CID 82442644

IUPAC4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one
SMILESCc1ccc(C(N)c2cc(C)nn(C)c2=O)c(C)c1
InChIInChI=1S/C15H19N3O/c1-9-5-6-12(10(2)7-9)14(16)13-8-11(3)17-18(4)15(13)19/h5-8,14H,16H2,1-4H3
InChIKeyCRJXULQOGYUNCF-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.75
Rot. Bonds2

About 4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one

4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one (PubChem CID 82442644) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one
PubChem CID82442644
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one
SMILESCc1ccc(C(N)c2cc(C)nn(C)c2=O)c(C)c1
InChIInChI=1S/C15H19N3O/c1-9-5-6-12(10(2)7-9)14(16)13-8-11(3)17-18(4)15(13)19/h5-8,14H,16H2,1-4H3
InChIKeyCRJXULQOGYUNCF-UHFFFAOYSA-N
XLogP1.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[amino-(2,4-dimethylphenyl)methyl]-6-tert-butyl-2-methylpyridazin-3-one
CID 82443524
4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one
CID 82442655
4-[amino-(2,5-dimethylphenyl)methyl]-6-tert-butyl-2-methylpyridazin-3-one
CID 82443526
4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
CID 82442812
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one
CID 82442184
(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145281
3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523153
3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one
CID 82526767
5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186829
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one?
The IUPAC name of 4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one (CID 82442644) is 4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one is Cc1ccc(C(N)c2cc(C)nn(C)c2=O)c(C)c1.
What is the InChIKey of 4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one?
The InChIKey is CRJXULQOGYUNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-5-6-12(10(2)7-9)14(16)13-8-11(3)17-18(4)15(13)19/h5-8,14H,16H2,1-4H3.
What are the key properties of 4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one?
4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one has a molecular weight of 257.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 82442644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).