5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

C16H15Cl2N5O2 — CID 169128922

IUPAC5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESNCc1cnn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1Cl
InChIInChI=1S/C16H15Cl2N5O2/c17-12-4-1-10(2-5-12)3-6-13-21-14(25-22-13)9-23-16(24)15(18)11(7-19)8-20-23/h1-2,4-5,8H,3,6-7,9,19H2
InChIKeyRRWHFNIRNJIIGZ-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.23
Rot. Bonds6

About 5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (PubChem CID 169128922) has the molecular formula C16H15Cl2N5O2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
PubChem CID169128922
Molecular FormulaC16H15Cl2N5O2
Molecular Weight380.24 g/mol
Exact Mass379.06
IUPAC Name5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESNCc1cnn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1Cl
InChIInChI=1S/C16H15Cl2N5O2/c17-12-4-1-10(2-5-12)3-6-13-21-14(25-22-13)9-23-16(24)15(18)11(7-19)8-20-23/h1-2,4-5,8H,3,6-7,9,19H2
InChIKeyRRWHFNIRNJIIGZ-UHFFFAOYSA-N
XLogP2.23
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-iodopyridazin-3-one
CID 169128924
4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 169128998
2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one
CID 169128984
4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(hydroxymethyl)pyridazin-3-one
CID 170089755
5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one
CID 170571458
3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazo[5,1-f][1,2,4]triazin-4-one
CID 126752238
5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one
CID 170571424
6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
CID 126752132
2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile
CID 170422283
(2R)-2-[5-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridazin-4-yl]propanamide
CID 170090798
3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[5,1-f][1,2,4]triazine-5-carbonitrile
CID 126752168
5-amino-2-[[3-[(2S)-2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
CID 169129069

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (CID 169128922) is 5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is NCc1cnn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1Cl.
What is the InChIKey of 5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The InChIKey is RRWHFNIRNJIIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O2/c17-12-4-1-10(2-5-12)3-6-13-21-14(25-22-13)9-23-16(24)15(18)11(7-19)8-20-23/h1-2,4-5,8H,3,6-7,9,19H2.
What are the key properties of 5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one has a molecular weight of 380.24 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 169128922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).