4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one

C16H20ClN3O — CID 133302491

IUPAC4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one
SMILESCc1ccccc1C(Nc1cnn(C)c(=O)c1Cl)C(C)C
InChIInChI=1S/C16H20ClN3O/c1-10(2)15(12-8-6-5-7-11(12)3)19-13-9-18-20(4)16(21)14(13)17/h5-10,15,19H,1-4H3
InChIKeyQDUGDWOAGFJCMB-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.55
Rot. Bonds4

About 4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one

4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one (PubChem CID 133302491) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one
PubChem CID133302491
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one
SMILESCc1ccccc1C(Nc1cnn(C)c(=O)c1Cl)C(C)C
InChIInChI=1S/C16H20ClN3O/c1-10(2)15(12-8-6-5-7-11(12)3)19-13-9-18-20(4)16(21)14(13)17/h5-10,15,19H,1-4H3
InChIKeyQDUGDWOAGFJCMB-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridazin-3-one
CID 114417786
4-chloro-5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylpyridazin-3-one
CID 115580005
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one
CID 51932024
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
CID 115577699
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one
CID 115612275
4-chloro-5-[[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one
CID 95223262
4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
CID 102698939
(2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide
CID 97327707
4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
CID 47174554
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one (CID 133302491) is 4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one is Cc1ccccc1C(Nc1cnn(C)c(=O)c1Cl)C(C)C.
What is the InChIKey of 4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one?
The InChIKey is QDUGDWOAGFJCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10(2)15(12-8-6-5-7-11(12)3)19-13-9-18-20(4)16(21)14(13)17/h5-10,15,19H,1-4H3.
What are the key properties of 4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one?
4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one has a molecular weight of 305.81 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one is sourced from PubChem (CID 133302491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).