5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one

C12H14N4O — CID 82446530

IUPAC5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one
SMILESCCNCc1cc(-c2ccccn2)n[nH]c1=O
InChIInChI=1S/C12H14N4O/c1-2-13-8-9-7-11(15-16-12(9)17)10-5-3-4-6-14-10/h3-7,13H,2,8H2,1H3,(H,16,17)
InChIKeyDMMMZKFAPMOJQJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.94
Rot. Bonds4

About 5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one

5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one (PubChem CID 82446530) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one
PubChem CID82446530
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one
SMILESCCNCc1cc(-c2ccccn2)n[nH]c1=O
InChIInChI=1S/C12H14N4O/c1-2-13-8-9-7-11(15-16-12(9)17)10-5-3-4-6-14-10/h3-7,13H,2,8H2,1H3,(H,16,17)
InChIKeyDMMMZKFAPMOJQJ-UHFFFAOYSA-N
XLogP0.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-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-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one
CID 82446535
5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one
CID 82445862
3-phenyl-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445383
5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one
CID 82445513
3-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1H-pyridazin-6-one
CID 82446251
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441
5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445389
propane;2-pyridin-2-ylpyridine
CID 158168510
3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
CID 2811840
5-(butylaminomethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445436
3-(4-ethylphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445478

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one (CID 82446530) is 5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one is CCNCc1cc(-c2ccccn2)n[nH]c1=O.
What is the InChIKey of 5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one?
The InChIKey is DMMMZKFAPMOJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-13-8-9-7-11(15-16-12(9)17)10-5-3-4-6-14-10/h3-7,13H,2,8H2,1H3,(H,16,17).
What are the key properties of 5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one?
5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one has a molecular weight of 230.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 82446530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).