4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one

C9H14ClN3O2 — CID 102698939

IUPAC4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
SMILESCOC(C)CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-6(15-3)4-11-7-5-12-13(2)9(14)8(7)10/h5-6,11H,4H2,1-3H3
InChIKeyKNUIEQOPXMULNK-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.88
Rot. Bonds4

About 4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one

4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one (PubChem CID 102698939) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
PubChem CID102698939
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
SMILESCOC(C)CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-6(15-3)4-11-7-5-12-13(2)9(14)8(7)10/h5-6,11H,4H2,1-3H3
InChIKeyKNUIEQOPXMULNK-UHFFFAOYSA-N
XLogP0.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one
CID 113368835
5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114445572
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133307842
4-chloro-5-(5-methoxypentylamino)-2-methylpyridazin-3-one
CID 113228424
4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one
CID 103875740
4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one
CID 133375230
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114446864
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113222231
4-chloro-5-[[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one
CID 95223262
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
CID 103525314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one (CID 102698939) is 4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one is COC(C)CNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one?
The InChIKey is KNUIEQOPXMULNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-6(15-3)4-11-7-5-12-13(2)9(14)8(7)10/h5-6,11H,4H2,1-3H3.
What are the key properties of 4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one?
4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one has a molecular weight of 231.68 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 102698939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).