5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one

C13H15ClN4O — CID 103220968

IUPAC5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
SMILESNCCNc1cnn(Cc2ccccc2Cl)c(=O)c1
InChIInChI=1S/C13H15ClN4O/c14-12-4-2-1-3-10(12)9-18-13(19)7-11(8-17-18)16-6-5-15/h1-4,7-8,16H,5-6,9,15H2
InChIKeyUTGGQKBNKMWEGS-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.32
Rot. Bonds5

About 5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one

5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one (PubChem CID 103220968) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
PubChem CID103220968
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
SMILESNCCNc1cnn(Cc2ccccc2Cl)c(=O)c1
InChIInChI=1S/C13H15ClN4O/c14-12-4-2-1-3-10(12)9-18-13(19)7-11(8-17-18)16-6-5-15/h1-4,7-8,16H,5-6,9,15H2
InChIKeyUTGGQKBNKMWEGS-UHFFFAOYSA-N
XLogP1.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethylamino)-2-[(4-chloro-2-fluorophenyl)methyl]pyridazin-3-one
CID 103221049
2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221743
2-[(2,5-dichlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220082
5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one
CID 103221268
2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one
CID 166336869
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
3-[[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]methyl]-4-fluorobenzonitrile
CID 103221255
5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one
CID 103221075
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
2-[(3-chloro-4-pyridinyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223550
2-[(4-bromo-2-chlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220213
2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 107313022

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one (CID 103220968) is 5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one is NCCNc1cnn(Cc2ccccc2Cl)c(=O)c1.
What is the InChIKey of 5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one?
The InChIKey is UTGGQKBNKMWEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-12-4-2-1-3-10(12)9-18-13(19)7-11(8-17-18)16-6-5-15/h1-4,7-8,16H,5-6,9,15H2.
What are the key properties of 5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one?
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one has a molecular weight of 278.74 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103220968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).