6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile

C18H16ClN7O — CID 133433136

IUPAC6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)nn1
InChIInChI=1S/C18H16ClN7O/c19-14-3-1-13(2-4-14)18-21-17(27-24-18)12-25-7-9-26(10-8-25)16-6-5-15(11-20)22-23-16/h1-6H,7-10,12H2
InChIKeyQMDBQZNLQCGTJG-UHFFFAOYSA-N
MW381.83 g/mol
LogP2.37
Rot. Bonds4

About 6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile

6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile (PubChem CID 133433136) has the molecular formula C18H16ClN7O and a molecular weight of 381.83 g/mol. Its IUPAC name is 6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile
PubChem CID133433136
Molecular FormulaC18H16ClN7O
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC Name6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)nn1
InChIInChI=1S/C18H16ClN7O/c19-14-3-1-13(2-4-14)18-21-17(27-24-18)12-25-7-9-26(10-8-25)16-6-5-15(11-20)22-23-16/h1-6H,7-10,12H2
InChIKeyQMDBQZNLQCGTJG-UHFFFAOYSA-N
XLogP2.37
TPSA94.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile with MolForge

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Related Compounds

4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]quinoline-2-carbonitrile
CID 133310452
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 37122929
3-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 34526668
3-(4-chlorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 27122901
3-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015572
[3-[[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752611
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 38884826
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55462296
3-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30729741
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 119134449
3-(4-chlorophenyl)-5-[[4-(3-nitro-2-pyridinyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 26044514
3-(4-chlorophenyl)-5-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 9127218

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile (CID 133433136) is 6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)nn1.
What is the InChIKey of 6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is QMDBQZNLQCGTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O/c19-14-3-1-13(2-4-14)18-21-17(27-24-18)12-25-7-9-26(10-8-25)16-6-5-15(11-20)22-23-16/h1-6H,7-10,12H2.
What are the key properties of 6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile?
6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 381.83 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133433136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).