2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one

C16H22N4O — CID 114394568

IUPAC2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCc1ccc(C(N)Cn2ncc(N(C)C)cc2=O)cc1C
InChIInChI=1S/C16H22N4O/c1-11-5-6-13(7-12(11)2)15(17)10-20-16(21)8-14(9-18-20)19(3)4/h5-9,15H,10,17H2,1-4H3
InChIKeyQWOAKSLCJXXATF-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.63
Rot. Bonds4

About 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one

2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 114394568) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID114394568
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCc1ccc(C(N)Cn2ncc(N(C)C)cc2=O)cc1C
InChIInChI=1S/C16H22N4O/c1-11-5-6-13(7-12(11)2)15(17)10-20-16(21)8-14(9-18-20)19(3)4/h5-9,15H,10,17H2,1-4H3
InChIKeyQWOAKSLCJXXATF-UHFFFAOYSA-N
XLogP1.63
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394810
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
CID 114395440
2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394227
2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548613
3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one
CID 61224748
1-[2-amino-2-(3,4-dimethylphenyl)ethyl]azepane-2,7-dione
CID 43447586
2-(2-cyclopropyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397069
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one
CID 114396794
5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one
CID 29088974
1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine
CID 16643554

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one (CID 114394568) is 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one is Cc1ccc(C(N)Cn2ncc(N(C)C)cc2=O)cc1C.
What is the InChIKey of 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is QWOAKSLCJXXATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-5-6-13(7-12(11)2)15(17)10-20-16(21)8-14(9-18-20)19(3)4/h5-9,15H,10,17H2,1-4H3.
What are the key properties of 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one?
2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 286.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114394568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).