4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one

C18H24ClN3O3 — CID 19903163

IUPAC4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one
SMILESCCOc1ccc(CNc2cnn(C(C)C)c(=O)c2Cl)cc1OCC
InChIInChI=1S/C18H24ClN3O3/c1-5-24-15-8-7-13(9-16(15)25-6-2)10-20-14-11-21-22(12(3)4)18(23)17(14)19/h7-9,11-12,20H,5-6,10H2,1-4H3
InChIKeyVJQZCNYQBQSXIC-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.89
Rot. Bonds8

About 4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one

4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one (PubChem CID 19903163) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one
PubChem CID19903163
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one
SMILESCCOc1ccc(CNc2cnn(C(C)C)c(=O)c2Cl)cc1OCC
InChIInChI=1S/C18H24ClN3O3/c1-5-24-15-8-7-13(9-16(15)25-6-2)10-20-14-11-21-22(12(3)4)18(23)17(14)19/h7-9,11-12,20H,5-6,10H2,1-4H3
InChIKeyVJQZCNYQBQSXIC-UHFFFAOYSA-N
XLogP3.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-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-chloro-5-[(4-methoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114432209
5-(butylamino)-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432150
4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
CID 114435097
4-bromo-5-[(4-chlorophenyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114431125
5-[(2-amino-2-ethylbutyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114446774
4-chloro-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 106048168
4-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114434377
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902826
2-(4-chloropyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19538530
4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 106403998
4-chloro-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-ylpyridazin-3-one
CID 114440791
4-chloro-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106148961

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one (CID 19903163) is 4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one is CCOc1ccc(CNc2cnn(C(C)C)c(=O)c2Cl)cc1OCC.
What is the InChIKey of 4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one?
The InChIKey is VJQZCNYQBQSXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-5-24-15-8-7-13(9-16(15)25-6-2)10-20-14-11-21-22(12(3)4)18(23)17(14)19/h7-9,11-12,20H,5-6,10H2,1-4H3.
What are the key properties of 4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one?
4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one has a molecular weight of 365.86 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 19903163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).