4-methyl-[1,3]oxazolo[4,5-d]pyridazine

C6H5N3O — CID 58957194

IUPAC4-methyl-[1,3]oxazolo[4,5-d]pyridazine
SMILESCc1nncc2ocnc12
InChIInChI=1S/C6H5N3O/c1-4-6-5(2-8-9-4)10-3-7-6/h2-3H,1H3
InChIKeyQPCLXEDBFTVWKN-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.93
Rot. Bonds

About 4-methyl-[1,3]oxazolo[4,5-d]pyridazine

4-methyl-[1,3]oxazolo[4,5-d]pyridazine (PubChem CID 58957194) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 4-methyl-[1,3]oxazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name4-methyl-[1,3]oxazolo[4,5-d]pyridazine
PubChem CID58957194
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name4-methyl-[1,3]oxazolo[4,5-d]pyridazine
SMILESCc1nncc2ocnc12
InChIInChI=1S/C6H5N3O/c1-4-6-5(2-8-9-4)10-3-7-6/h2-3H,1H3
InChIKeyQPCLXEDBFTVWKN-UHFFFAOYSA-N
XLogP0.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-[1,3]oxazolo[4,5-d]pyridazine?
The IUPAC name of 4-methyl-[1,3]oxazolo[4,5-d]pyridazine (CID 58957194) is 4-methyl-[1,3]oxazolo[4,5-d]pyridazine.
What is the SMILES notation for 4-methyl-[1,3]oxazolo[4,5-d]pyridazine?
The canonical SMILES for 4-methyl-[1,3]oxazolo[4,5-d]pyridazine is Cc1nncc2ocnc12.
What is the InChIKey of 4-methyl-[1,3]oxazolo[4,5-d]pyridazine?
The InChIKey is QPCLXEDBFTVWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-4-6-5(2-8-9-4)10-3-7-6/h2-3H,1H3.
What are the key properties of 4-methyl-[1,3]oxazolo[4,5-d]pyridazine?
4-methyl-[1,3]oxazolo[4,5-d]pyridazine has a molecular weight of 135.13 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-[1,3]oxazolo[4,5-d]pyridazine is sourced from PubChem (CID 58957194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).