5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one

C14H16BrN3O3 — CID 114385970

IUPAC5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(C(C)Nc2cn[nH]c(=O)c2Br)cc1OC
InChIInChI=1S/C14H16BrN3O3/c1-8(17-10-7-16-18-14(19)13(10)15)9-4-5-11(20-2)12(6-9)21-3/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyYYQRNIZLHVTPSN-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.72
Rot. Bonds5

About 5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one

5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one (PubChem CID 114385970) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one
PubChem CID114385970
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(C(C)Nc2cn[nH]c(=O)c2Br)cc1OC
InChIInChI=1S/C14H16BrN3O3/c1-8(17-10-7-16-18-14(19)13(10)15)9-4-5-11(20-2)12(6-9)21-3/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyYYQRNIZLHVTPSN-UHFFFAOYSA-N
XLogP2.72
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-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-bromo-4-[1-(3-fluoro-4-methylphenyl)ethylamino]-1H-pyridazin-6-one
CID 114386191
2-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-fluoroaniline
CID 107633267
5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one
CID 115576956
5-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555308
5-bromo-2-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 63478614
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one
CID 133303502
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one
CID 115577041
5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
CID 103580081
5-bromo-2-[1-(3,4-dimethoxyphenyl)ethylamino]benzonitrile
CID 133407162
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine
CID 43790611

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one (CID 114385970) is 5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one is COc1ccc(C(C)Nc2cn[nH]c(=O)c2Br)cc1OC.
What is the InChIKey of 5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one?
The InChIKey is YYQRNIZLHVTPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-8(17-10-7-16-18-14(19)13(10)15)9-4-5-11(20-2)12(6-9)21-3/h4-8H,1-3H3,(H2,17,18,19).
What are the key properties of 5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one?
5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one has a molecular weight of 354.20 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 114385970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).