2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one

C16H21N3O — CID 106548613

IUPAC2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(N)c2ccc(C(C)C)cc2)c(=O)c1
InChIInChI=1S/C16H21N3O/c1-11(2)13-4-6-14(7-5-13)15(17)10-19-16(20)8-12(3)9-18-19/h4-9,11,15H,10,17H2,1-3H3
InChIKeyJMPLHQAURJPFCG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.38
Rot. Bonds4

About 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one

2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one (PubChem CID 106548613) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one
PubChem CID106548613
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(N)c2ccc(C(C)C)cc2)c(=O)c1
InChIInChI=1S/C16H21N3O/c1-11(2)13-4-6-14(7-5-13)15(17)10-19-16(20)8-12(3)9-18-19/h4-9,11,15H,10,17H2,1-3H3
InChIKeyJMPLHQAURJPFCG-UHFFFAOYSA-N
XLogP2.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one
CID 107523246
2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
CID 106548563
2-(2-aminopentyl)-5-methylpyridazin-3-one
CID 106548547
2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548597
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548689
5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one
CID 106548507
2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114394568
5-methyl-2-[3-methyl-2-(methylamino)pentyl]pyridazin-3-one
CID 106548526
2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one
CID 106548589
2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394810
2-(3-hydroxybutyl)-5-methylpyridazin-3-one
CID 106548855
3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
CID 63770409

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one (CID 106548613) is 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one is Cc1cnn(CC(N)c2ccc(C(C)C)cc2)c(=O)c1.
What is the InChIKey of 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one?
The InChIKey is JMPLHQAURJPFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)13-4-6-14(7-5-13)15(17)10-19-16(20)8-12(3)9-18-19/h4-9,11,15H,10,17H2,1-3H3.
What are the key properties of 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one?
2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).