4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one

C17H15Cl2N3O3 — CID 133490811

IUPAC4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
SMILESO=c1c(Cl)c(NC(CCO)c2ccco2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2N3O3/c18-11-3-5-12(6-4-11)22-17(24)16(19)14(10-20-22)21-13(7-8-23)15-2-1-9-25-15/h1-6,9-10,13,21,23H,7-8H2
InChIKeyUJLXQIBBERQSGS-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.67
Rot. Bonds6

About 4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one

4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one (PubChem CID 133490811) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
PubChem CID133490811
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
SMILESO=c1c(Cl)c(NC(CCO)c2ccco2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2N3O3/c18-11-3-5-12(6-4-11)22-17(24)16(19)14(10-20-22)21-13(7-8-23)15-2-1-9-25-15/h1-6,9-10,13,21,23H,7-8H2
InChIKeyUJLXQIBBERQSGS-UHFFFAOYSA-N
XLogP3.67
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
CID 133490885
4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
CID 97019777
4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
CID 9340704
4-chloro-5-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133445252
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-chloro-2-(4-chlorophenyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496558
4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one
CID 9195368
4-chloro-5-[4-(furan-2-yl)butan-2-ylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436029
4-chloro-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-2-phenylpyridazin-3-one
CID 9195369
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one
CID 56584883
4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one
CID 133335715
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one (CID 133490811) is 4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one is O=c1c(Cl)c(NC(CCO)c2ccco2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one?
The InChIKey is UJLXQIBBERQSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c18-11-3-5-12(6-4-11)22-17(24)16(19)14(10-20-22)21-13(7-8-23)15-2-1-9-25-15/h1-6,9-10,13,21,23H,7-8H2.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one?
4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one has a molecular weight of 380.23 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one is sourced from PubChem (CID 133490811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).