4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one

C15H18ClN3O4 — CID 133307842

IUPAC4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
SMILESCOc1cc(OC)cc(C(O)CNc2cnn(C)c(=O)c2Cl)c1
InChIInChI=1S/C15H18ClN3O4/c1-19-15(21)14(16)12(7-18-19)17-8-13(20)9-4-10(22-2)6-11(5-9)23-3/h4-7,13,17,20H,8H2,1-3H3
InChIKeyMTIREOPTRQZQIL-UHFFFAOYSA-N
MW339.78 g/mol
LogP1.60
Rot. Bonds6

About 4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one

4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one (PubChem CID 133307842) has the molecular formula C15H18ClN3O4 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
PubChem CID133307842
Molecular FormulaC15H18ClN3O4
Molecular Weight339.78 g/mol
Exact Mass339.10
IUPAC Name4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
SMILESCOc1cc(OC)cc(C(O)CNc2cnn(C)c(=O)c2Cl)c1
InChIInChI=1S/C15H18ClN3O4/c1-19-15(21)14(16)12(7-18-19)17-8-13(20)9-4-10(22-2)6-11(5-9)23-3/h4-7,13,17,20H,8H2,1-3H3
InChIKeyMTIREOPTRQZQIL-UHFFFAOYSA-N
XLogP1.60
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
CID 102698939
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-dimethoxypropylamino)-2-methylpyridazin-3-one
CID 113368835
4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one
CID 103875740
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one
CID 133375230
4-chloro-5-[[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one
CID 95223262
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one
CID 49225583
4,5-dichloro-2-[3-chloro-4-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]phenyl]pyridazin-3-one
CID 52676662
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113222231

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one (CID 133307842) is 4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one is COc1cc(OC)cc(C(O)CNc2cnn(C)c(=O)c2Cl)c1.
What is the InChIKey of 4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one?
The InChIKey is MTIREOPTRQZQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4/c1-19-15(21)14(16)12(7-18-19)17-8-13(20)9-4-10(22-2)6-11(5-9)23-3/h4-7,13,17,20H,8H2,1-3H3.
What are the key properties of 4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one?
4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one has a molecular weight of 339.78 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133307842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).