5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one

C14H17ClN4O — CID 114444517

IUPAC5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2ccc(CCN)cc2)c(Cl)c1=O
InChIInChI=1S/C14H17ClN4O/c1-19-14(20)13(15)12(9-18-19)17-8-11-4-2-10(3-5-11)6-7-16/h2-5,9,17H,6-8,16H2,1H3
InChIKeyJNEFXJVHKDUBKY-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.55
Rot. Bonds5

About 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one

5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one (PubChem CID 114444517) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
PubChem CID114444517
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2ccc(CCN)cc2)c(Cl)c1=O
InChIInChI=1S/C14H17ClN4O/c1-19-14(20)13(15)12(9-18-19)17-8-11-4-2-10(3-5-11)6-7-16/h2-5,9,17H,6-8,16H2,1H3
InChIKeyJNEFXJVHKDUBKY-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114444519
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115621009
4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 47281719
4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one
CID 115613225
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114445572
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one
CID 176970042
4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one
CID 104576609

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one (CID 114444517) is 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one is Cn1ncc(NCc2ccc(CCN)cc2)c(Cl)c1=O.
What is the InChIKey of 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is JNEFXJVHKDUBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-19-14(20)13(15)12(9-18-19)17-8-11-4-2-10(3-5-11)6-7-16/h2-5,9,17H,6-8,16H2,1H3.
What are the key properties of 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one?
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 292.77 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 114444517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).