4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one

C18H25N3O — CID 82446587

IUPAC4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccccc2)cc(CNCC(C)C)c1=O
InChIInChI=1S/C18H25N3O/c1-4-10-21-18(22)16(13-19-12-14(2)3)11-17(20-21)15-8-6-5-7-9-15/h5-9,11,14,19H,4,10,12-13H2,1-3H3
InChIKeyDRHOLQLROZPLOL-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.07
Rot. Bonds7

About 4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one

4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one (PubChem CID 82446587) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
PubChem CID82446587
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccccc2)cc(CNCC(C)C)c1=O
InChIInChI=1S/C18H25N3O/c1-4-10-21-18(22)16(13-19-12-14(2)3)11-17(20-21)15-8-6-5-7-9-15/h5-9,11,14,19H,4,10,12-13H2,1-3H3
InChIKeyDRHOLQLROZPLOL-UHFFFAOYSA-N
XLogP3.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one
CID 82443259
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444050
6-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444306
2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443306
3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
CID 82446579
6-(4-propan-2-ylphenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446660
4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
CID 82446598
6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one
CID 82446687
2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443125
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
4-(aminomethyl)-6-(3-propan-2-yloxyphenyl)-2-propylpyridazin-3-one
CID 82446845

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one?
The IUPAC name of 4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one (CID 82446587) is 4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one.
What is the SMILES notation for 4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one?
The canonical SMILES for 4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one is CCCn1nc(-c2ccccc2)cc(CNCC(C)C)c1=O.
What is the InChIKey of 4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one?
The InChIKey is DRHOLQLROZPLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-10-21-18(22)16(13-19-12-14(2)3)11-17(20-21)15-8-6-5-7-9-15/h5-9,11,14,19H,4,10,12-13H2,1-3H3.
What are the key properties of 4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one?
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one has a molecular weight of 299.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one is sourced from PubChem (CID 82446587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).