2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid

C10H10N4O3S — CID 104670835

IUPAC2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESCc1cc(-c2nnc(SCC(=O)O)o2)c(C)nn1
InChIInChI=1S/C10H10N4O3S/c1-5-3-7(6(2)12-11-5)9-13-14-10(17-9)18-4-8(15)16/h3H,4H2,1-2H3,(H,15,16)
InChIKeyOXMVLXYHCXJCRL-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.32
Rot. Bonds4

About 2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid

2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 104670835) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
PubChem CID104670835
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESCc1cc(-c2nnc(SCC(=O)O)o2)c(C)nn1
InChIInChI=1S/C10H10N4O3S/c1-5-3-7(6(2)12-11-5)9-13-14-10(17-9)18-4-8(15)16/h3H,4H2,1-2H3,(H,15,16)
InChIKeyOXMVLXYHCXJCRL-UHFFFAOYSA-N
XLogP1.32
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (CID 104670835) is 2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is Cc1cc(-c2nnc(SCC(=O)O)o2)c(C)nn1.
What is the InChIKey of 2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is OXMVLXYHCXJCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-5-3-7(6(2)12-11-5)9-13-14-10(17-9)18-4-8(15)16/h3H,4H2,1-2H3,(H,15,16).
What are the key properties of 2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 266.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 104670835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).