3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide

C13H16N6O2 — CID 102703292

IUPAC3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C3CCCN3)o2)c(C)nn1
InChIInChI=1S/C13H16N6O2/c1-7-6-9(8(2)17-16-7)11(20)15-13-19-18-12(21-13)10-4-3-5-14-10/h6,10,14H,3-5H2,1-2H3,(H,15,19,20)
InChIKeySACGLIJYZQUCKY-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.15
Rot. Bonds3

About 3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide

3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide (PubChem CID 102703292) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide
PubChem CID102703292
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C3CCCN3)o2)c(C)nn1
InChIInChI=1S/C13H16N6O2/c1-7-6-9(8(2)17-16-7)11(20)15-13-19-18-12(21-13)10-4-3-5-14-10/h6,10,14H,3-5H2,1-2H3,(H,15,19,20)
InChIKeySACGLIJYZQUCKY-UHFFFAOYSA-N
XLogP1.15
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide (CID 102703292) is 3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide is Cc1cc(C(=O)Nc2nnc(C3CCCN3)o2)c(C)nn1.
What is the InChIKey of 3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide?
The InChIKey is SACGLIJYZQUCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-7-6-9(8(2)17-16-7)11(20)15-13-19-18-12(21-13)10-4-3-5-14-10/h6,10,14H,3-5H2,1-2H3,(H,15,19,20).
What are the key properties of 3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide?
3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 102703292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).