4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one

C17H23N3O — CID 82443142

IUPAC4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
SMILESCCc1ccc(C(N)c2cc(C(C)C)nn(C)c2=O)cc1
InChIInChI=1S/C17H23N3O/c1-5-12-6-8-13(9-7-12)16(18)14-10-15(11(2)3)19-20(4)17(14)21/h6-11,16H,5,18H2,1-4H3
InChIKeyBVMIFQRGNFUFMT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.51
Rot. Bonds4

About 4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one

4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one (PubChem CID 82443142) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
PubChem CID82443142
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
SMILESCCc1ccc(C(N)c2cc(C(C)C)nn(C)c2=O)cc1
InChIInChI=1S/C17H23N3O/c1-5-12-6-8-13(9-7-12)16(18)14-10-15(11(2)3)19-20(4)17(14)21/h6-11,16H,5,18H2,1-4H3
InChIKeyBVMIFQRGNFUFMT-UHFFFAOYSA-N
XLogP2.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one
CID 82442102
(2,5-dimethylphenyl)-(4-ethylphenyl)methanamine
CID 43198611
4-(bromomethyl)-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443132
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one
CID 82444027
4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one
CID 82442733
4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
CID 82442816
(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 62963946
(2-bromo-5-methylphenyl)-(4-ethylphenyl)methanamine
CID 81109837
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825316

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one (CID 82443142) is 4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one is CCc1ccc(C(N)c2cc(C(C)C)nn(C)c2=O)cc1.
What is the InChIKey of 4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one?
The InChIKey is BVMIFQRGNFUFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-12-6-8-13(9-7-12)16(18)14-10-15(11(2)3)19-20(4)17(14)21/h6-11,16H,5,18H2,1-4H3.
What are the key properties of 4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one?
4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one has a molecular weight of 285.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-ethylphenyl)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 82443142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).