4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one

C17H23N3O — CID 82442812

IUPAC4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
SMILESCCCn1nc(C)cc(C(N)c2cc(C)ccc2C)c1=O
InChIInChI=1S/C17H23N3O/c1-5-8-20-17(21)15(10-13(4)19-20)16(18)14-9-11(2)6-7-12(14)3/h6-7,9-10,16H,5,8,18H2,1-4H3
InChIKeyAPYXOWMDWGOLRQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.63
Rot. Bonds4

About 4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one

4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one (PubChem CID 82442812) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
PubChem CID82442812
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
SMILESCCCn1nc(C)cc(C(N)c2cc(C)ccc2C)c1=O
InChIInChI=1S/C17H23N3O/c1-5-8-20-17(21)15(10-13(4)19-20)16(18)14-9-11(2)6-7-12(14)3/h6-7,9-10,16H,5,8,18H2,1-4H3
InChIKeyAPYXOWMDWGOLRQ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
CID 82442816
4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one
CID 82442644
4-[amino-(2,5-dimethylphenyl)methyl]-6-tert-butyl-2-methylpyridazin-3-one
CID 82443526
3-[amino-(2,5-dimethylphenyl)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525129
4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one
CID 82442949
3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526362
4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one
CID 82442733
3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one
CID 82526194
4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
CID 82442775
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
6-(2,5-dimethylphenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446704

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one?
The IUPAC name of 4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one (CID 82442812) is 4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one.
What is the SMILES notation for 4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one?
The canonical SMILES for 4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one is CCCn1nc(C)cc(C(N)c2cc(C)ccc2C)c1=O.
What is the InChIKey of 4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one?
The InChIKey is APYXOWMDWGOLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-8-20-17(21)15(10-13(4)19-20)16(18)14-9-11(2)6-7-12(14)3/h6-7,9-10,16H,5,8,18H2,1-4H3.
What are the key properties of 4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one?
4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one has a molecular weight of 285.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one is sourced from PubChem (CID 82442812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).