6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile

C13H6BrN5OS — CID 133416309

IUPAC6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nnc(-c3ccccc3Br)o2)nn1
InChIInChI=1S/C13H6BrN5OS/c14-10-4-2-1-3-9(10)12-18-19-13(20-12)21-11-6-5-8(7-15)16-17-11/h1-6H
InChIKeyPLNVKTUIARNLKL-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.31
Rot. Bonds3

About 6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile

6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile (PubChem CID 133416309) has the molecular formula C13H6BrN5OS and a molecular weight of 360.20 g/mol. Its IUPAC name is 6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
PubChem CID133416309
Molecular FormulaC13H6BrN5OS
Molecular Weight360.20 g/mol
Exact Mass358.95
IUPAC Name6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nnc(-c3ccccc3Br)o2)nn1
InChIInChI=1S/C13H6BrN5OS/c14-10-4-2-1-3-9(10)12-18-19-13(20-12)21-11-6-5-8(7-15)16-17-11/h1-6H
InChIKeyPLNVKTUIARNLKL-UHFFFAOYSA-N
XLogP3.31
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133416299
2-(2-bromophenyl)-5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazole
CID 56734291
2-(2-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole
CID 55028952
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
CID 31101446
6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
CID 133392662
2-(2-bromophenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29183417
2-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]isoindole-1,3-dione
CID 5243208
2-(2-bromophenyl)-5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 3960712
6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
CID 133434118
(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 40855642
(2S)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 40855641
2-(2-bromophenyl)-5-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole
CID 92695252

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile (CID 133416309) is 6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile is N#Cc1ccc(Sc2nnc(-c3ccccc3Br)o2)nn1.
What is the InChIKey of 6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The InChIKey is PLNVKTUIARNLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrN5OS/c14-10-4-2-1-3-9(10)12-18-19-13(20-12)21-11-6-5-8(7-15)16-17-11/h1-6H.
What are the key properties of 6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile has a molecular weight of 360.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133416309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).