4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one

C13H13Cl2N3O2 — CID 133381459

IUPAC4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
SMILESCN(CCO)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl
InChIInChI=1S/C13H13Cl2N3O2/c1-17(6-7-19)11-8-16-18(13(20)12(11)15)10-4-2-9(14)3-5-10/h2-5,8,19H,6-7H2,1H3
InChIKeySNOFUKUBSVUMRU-UHFFFAOYSA-N
MW314.17 g/mol
LogP1.97
Rot. Bonds4

About 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one

4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 133381459) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
PubChem CID133381459
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
SMILESCN(CCO)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl
InChIInChI=1S/C13H13Cl2N3O2/c1-17(6-7-19)11-8-16-18(13(20)12(11)15)10-4-2-9(14)3-5-10/h2-5,8,19H,6-7H2,1H3
InChIKeySNOFUKUBSVUMRU-UHFFFAOYSA-N
XLogP1.97
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid
CID 122051508
N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide
CID 60521372
4-chloro-5-[cyclopropylmethyl(methyl)amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133283693
4-chloro-5-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-phenylpyridazin-3-one
CID 9172446
4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one
CID 9195137
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 110885932
5-[amino(methyl)amino]-4-chloro-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 21485873
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114444670
4-chloro-2-(4-chlorophenyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496558
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
CID 114444669
4-chloro-5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-phenylpyridazin-3-one
CID 9195293
4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one
CID 13187394

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one (CID 133381459) is 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one is CN(CCO)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is SNOFUKUBSVUMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-17(6-7-19)11-8-16-18(13(20)12(11)15)10-4-2-9(14)3-5-10/h2-5,8,19H,6-7H2,1H3.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 314.17 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 133381459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).