5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one

C14H16ClFN4O — CID 107894341

IUPAC5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one
SMILESCN(CCN)c1cnn(Cc2ccc(Cl)c(F)c2)c(=O)c1
InChIInChI=1S/C14H16ClFN4O/c1-19(5-4-17)11-7-14(21)20(18-8-11)9-10-2-3-12(15)13(16)6-10/h2-3,6-8H,4-5,9,17H2,1H3
InChIKeyMZNJLOLQUOFJMM-UHFFFAOYSA-N
MW310.76 g/mol
LogP1.48
Rot. Bonds5

About 5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 107894341) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one
PubChem CID107894341
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one
SMILESCN(CCN)c1cnn(Cc2ccc(Cl)c(F)c2)c(=O)c1
InChIInChI=1S/C14H16ClFN4O/c1-19(5-4-17)11-7-14(21)20(18-8-11)9-10-2-3-12(15)13(16)6-10/h2-3,6-8H,4-5,9,17H2,1H3
InChIKeyMZNJLOLQUOFJMM-UHFFFAOYSA-N
XLogP1.48
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393637
5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one
CID 103223402
5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223394
5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103223454
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977
5-[2-aminoethyl(methyl)amino]-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103223526
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 103223387
2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396924
2-[(4-bromophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396920
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
5-[2-aminoethyl(methyl)amino]-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223341
2-[(2-amino-4-chlorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393646

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one (CID 107894341) is 5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one is CN(CCN)c1cnn(Cc2ccc(Cl)c(F)c2)c(=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is MZNJLOLQUOFJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c1-19(5-4-17)11-7-14(21)20(18-8-11)9-10-2-3-12(15)13(16)6-10/h2-3,6-8H,4-5,9,17H2,1H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 310.76 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 107894341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).