2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one

C15H19N3O — CID 103220104

IUPAC2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2ccccc2C)c(=O)c1
InChIInChI=1S/C15H19N3O/c1-3-8-16-14-9-15(19)18(17-10-14)11-13-7-5-4-6-12(13)2/h4-7,9-10,16H,3,8,11H2,1-2H3
InChIKeyYBQDNWHYJNRCFQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.42
Rot. Bonds5

About 2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one

2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one (PubChem CID 103220104) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
PubChem CID103220104
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2ccccc2C)c(=O)c1
InChIInChI=1S/C15H19N3O/c1-3-8-16-14-9-15(19)18(17-10-14)11-13-7-5-4-6-12(13)2/h4-7,9-10,16H,3,8,11H2,1-2H3
InChIKeyYBQDNWHYJNRCFQ-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220165
2-[(2,5-dichlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220082
2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220063
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-[(4-bromo-2-chlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220213
2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220168
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220377
2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one
CID 103220259
2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103223592
2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220136
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one (CID 103220104) is 2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one is CCCNc1cnn(Cc2ccccc2C)c(=O)c1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one?
The InChIKey is YBQDNWHYJNRCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-8-16-14-9-15(19)18(17-10-14)11-13-7-5-4-6-12(13)2/h4-7,9-10,16H,3,8,11H2,1-2H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one?
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one has a molecular weight of 257.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).