5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one

C9H10N4O2 — CID 104672911

IUPAC5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCCc1nnc(C)cc1-c1n[nH]c(=O)o1
InChIInChI=1S/C9H10N4O2/c1-3-7-6(4-5(2)10-11-7)8-12-13-9(14)15-8/h4H,3H2,1-2H3,(H,13,14)
InChIKeySKRDKJLYUBGQOU-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.69
Rot. Bonds2

About 5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one

5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 104672911) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID104672911
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCCc1nnc(C)cc1-c1n[nH]c(=O)o1
InChIInChI=1S/C9H10N4O2/c1-3-7-6(4-5(2)10-11-7)8-12-13-9(14)15-8/h4H,3H2,1-2H3,(H,13,14)
InChIKeySKRDKJLYUBGQOU-UHFFFAOYSA-N
XLogP0.69
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one (CID 104672911) is 5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one is CCc1nnc(C)cc1-c1n[nH]c(=O)o1.
What is the InChIKey of 5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is SKRDKJLYUBGQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-3-7-6(4-5(2)10-11-7)8-12-13-9(14)15-8/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one?
5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 206.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 104672911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).