4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one

C14H23BrN4O — CID 106643456

IUPAC4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
SMILESCCN(CC1CCCNC1)c1cnn(CC)c(=O)c1Br
InChIInChI=1S/C14H23BrN4O/c1-3-18(10-11-6-5-7-16-8-11)12-9-17-19(4-2)14(20)13(12)15/h9,11,16H,3-8,10H2,1-2H3
InChIKeyZGASAJCEAVXATQ-UHFFFAOYSA-N
MW343.27 g/mol
LogP1.85
Rot. Bonds5

About 4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one

4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one (PubChem CID 106643456) has the molecular formula C14H23BrN4O and a molecular weight of 343.27 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
PubChem CID106643456
Molecular FormulaC14H23BrN4O
Molecular Weight343.27 g/mol
Exact Mass342.11
IUPAC Name4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
SMILESCCN(CC1CCCNC1)c1cnn(CC)c(=O)c1Br
InChIInChI=1S/C14H23BrN4O/c1-3-18(10-11-6-5-7-16-8-11)12-9-17-19(4-2)14(20)13(12)15/h9,11,16H,3-8,10H2,1-2H3
InChIKeyZGASAJCEAVXATQ-UHFFFAOYSA-N
XLogP1.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-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

4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
CID 106644106
4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one
CID 106620067
4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one
CID 114446386
4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one
CID 106643487
4-bromo-2-(cyclopropylmethyl)-5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619493
4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618950
4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one
CID 106642106
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260
5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one
CID 114444218
4-bromo-2-ethyl-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445059
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide
CID 106643533

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one (CID 106643456) is 4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one is CCN(CC1CCCNC1)c1cnn(CC)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one?
The InChIKey is ZGASAJCEAVXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O/c1-3-18(10-11-6-5-7-16-8-11)12-9-17-19(4-2)14(20)13(12)15/h9,11,16H,3-8,10H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one?
4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one has a molecular weight of 343.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one is sourced from PubChem (CID 106643456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).