5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one

C15H16ClN3O2 — CID 1479809

IUPAC5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(N(C)Cc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C15H16ClN3O2/c1-11(20)9-19-15(21)14(16)13(8-17-19)18(2)10-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3
InChIKeyLKCOFMJKMGYEQR-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.12
Rot. Bonds5

About 5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one

5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 1479809) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one
PubChem CID1479809
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(N(C)Cc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C15H16ClN3O2/c1-11(20)9-19-15(21)14(16)13(8-17-19)18(2)10-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3
InChIKeyLKCOFMJKMGYEQR-UHFFFAOYSA-N
XLogP2.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)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

4,5-Dichloro-2-(3-methylbenzyl)pyridazin-3(2h)-one
CID 779647
4-Chloro-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138483781
2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one
CID 722438
4,5-Dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 2585288
4-Chloro-2-methyl-5-{[(4-methylphenyl)methyl]amino}-2,3-dihydropyridazin-3-one
CID 33287080
Methyl 2-[4-[benzyl(methyl)amino]-5-chloro-6-oxopyridazin-1-yl]acetate
CID 2315224
4,5-Dichloro-2-(4-methylbenzyl)-2,3-dihydropyridazin-3-one
CID 728292
2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one
CID 2418645
N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
CID 7419674
5-(N-benzylamino)-4-chloro-2-methyl-3(2H)-pyridazinone
CID 13169715
4-Chloro-2-methyl-5-{[(2-methylphenyl)methyl]amino}-2,3-dihydropyridazin-3-one
CID 33323919
4-Chloro-2-methyl-5-[(3-methylphenyl)methylamino]pyridazin-3-one
CID 37929328

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one (CID 1479809) is 5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one is CC(=O)Cn1ncc(N(C)Cc2ccccc2)c(Cl)c1=O.
What is the InChIKey of 5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is LKCOFMJKMGYEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-11(20)9-19-15(21)14(16)13(8-17-19)18(2)10-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3.
What are the key properties of 5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one?
5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 305.77 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-4-chloro-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 1479809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).