5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid

C14H10N6O3 — CID 167409572

IUPAC5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESN#Cc1cc(C2CC2)nn2cc(Cc3nnc(C(=O)O)o3)nc12
InChIInChI=1S/C14H10N6O3/c15-5-8-3-10(7-1-2-7)19-20-6-9(16-12(8)20)4-11-17-18-13(23-11)14(21)22/h3,6-7H,1-2,4H2,(H,21,22)
InChIKeyRSTDMADOHPXFDC-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.15
Rot. Bonds4

About 5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid

5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 167409572) has the molecular formula C14H10N6O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID167409572
Molecular FormulaC14H10N6O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESN#Cc1cc(C2CC2)nn2cc(Cc3nnc(C(=O)O)o3)nc12
InChIInChI=1S/C14H10N6O3/c15-5-8-3-10(7-1-2-7)19-20-6-9(16-12(8)20)4-11-17-18-13(23-11)14(21)22/h3,6-7H,1-2,4H2,(H,21,22)
InChIKeyRSTDMADOHPXFDC-UHFFFAOYSA-N
XLogP1.15
TPSA130.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid (CID 167409572) is 5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid is N#Cc1cc(C2CC2)nn2cc(Cc3nnc(C(=O)O)o3)nc12.
What is the InChIKey of 5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is RSTDMADOHPXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O3/c15-5-8-3-10(7-1-2-7)19-20-6-9(16-12(8)20)4-11-17-18-13(23-11)14(21)22/h3,6-7H,1-2,4H2,(H,21,22).
What are the key properties of 5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid?
5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 310.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-cyano-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 167409572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).