4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one

C10H16ClN3O3 — CID 113368835

IUPAC4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one
SMILESCOCC(CNc1cnn(C)c(=O)c1Cl)OC
InChIInChI=1S/C10H16ClN3O3/c1-14-10(15)9(11)8(5-13-14)12-4-7(17-3)6-16-2/h5,7,12H,4,6H2,1-3H3
InChIKeyKWPDVIJVISLADY-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.51
Rot. Bonds6

About 4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one

4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one (PubChem CID 113368835) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one
PubChem CID113368835
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one
SMILESCOCC(CNc1cnn(C)c(=O)c1Cl)OC
InChIInChI=1S/C10H16ClN3O3/c1-14-10(15)9(11)8(5-13-14)12-4-7(17-3)6-16-2/h5,7,12H,4,6H2,1-3H3
InChIKeyKWPDVIJVISLADY-UHFFFAOYSA-N
XLogP0.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
CID 102698939
4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one
CID 103875740
4-chloro-5-(5-methoxypentylamino)-2-methylpyridazin-3-one
CID 113228424
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114445572
4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133307842
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844
4-chloro-5-[[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one
CID 95223262
4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one
CID 133375230
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one
CID 114436636
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114446864

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one (CID 113368835) is 4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one is COCC(CNc1cnn(C)c(=O)c1Cl)OC.
What is the InChIKey of 4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one?
The InChIKey is KWPDVIJVISLADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-14-10(15)9(11)8(5-13-14)12-4-7(17-3)6-16-2/h5,7,12H,4,6H2,1-3H3.
What are the key properties of 4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one?
4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one has a molecular weight of 261.71 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 113368835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).