6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one

C11H9N5O2 — CID 142422054

IUPAC6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one
SMILESCc1noc(Cn2ncc3ncccc3c2=O)n1
InChIInChI=1S/C11H9N5O2/c1-7-14-10(18-15-7)6-16-11(17)8-3-2-4-12-9(8)5-13-16/h2-5H,6H2,1H3
InChIKeyQJKMGEVYYHOUNN-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.53
Rot. Bonds2

About 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one

6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one (PubChem CID 142422054) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one
PubChem CID142422054
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one
SMILESCc1noc(Cn2ncc3ncccc3c2=O)n1
InChIInChI=1S/C11H9N5O2/c1-7-14-10(18-15-7)6-16-11(17)8-3-2-4-12-9(8)5-13-16/h2-5H,6H2,1H3
InChIKeyQJKMGEVYYHOUNN-UHFFFAOYSA-N
XLogP0.53
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one (CID 142422054) is 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one is Cc1noc(Cn2ncc3ncccc3c2=O)n1.
What is the InChIKey of 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one?
The InChIKey is QJKMGEVYYHOUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-7-14-10(18-15-7)6-16-11(17)8-3-2-4-12-9(8)5-13-16/h2-5H,6H2,1H3.
What are the key properties of 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one?
6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one has a molecular weight of 243.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 142422054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).