2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one

C16H21N3O — CID 103220165

IUPAC2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2c(C)cccc2C)c(=O)c1
InChIInChI=1S/C16H21N3O/c1-4-8-17-14-9-16(20)19(18-10-14)11-15-12(2)6-5-7-13(15)3/h5-7,9-10,17H,4,8,11H2,1-3H3
InChIKeyMYSZMTFZEGPXET-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.73
Rot. Bonds5

About 2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one

2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one (PubChem CID 103220165) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
PubChem CID103220165
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2c(C)cccc2C)c(=O)c1
InChIInChI=1S/C16H21N3O/c1-4-8-17-14-9-16(20)19(18-10-14)11-15-12(2)6-5-7-13(15)3/h5-7,9-10,17H,4,8,11H2,1-3H3
InChIKeyMYSZMTFZEGPXET-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220377
2-[(2,5-dichlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220082
2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
CID 103220306
2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220063
2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220168
2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one
CID 103220259
2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 107067014
2-[(4-bromo-2-chlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220213
2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220136
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220089
4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile
CID 103220340

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one (CID 103220165) is 2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one is CCCNc1cnn(Cc2c(C)cccc2C)c(=O)c1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one?
The InChIKey is MYSZMTFZEGPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-8-17-14-9-16(20)19(18-10-14)11-15-12(2)6-5-7-13(15)3/h5-7,9-10,17H,4,8,11H2,1-3H3.
What are the key properties of 2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one?
2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).