3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione

C6H5N3O3 — CID 72942980

IUPAC3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione
SMILESCc1onc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C6H5N3O3/c1-2-3-4(9-12-2)6(11)8-7-5(3)10/h1H3,(H,7,10)(H,8,11)
InChIKeyULEBZJGPULNUSV-UHFFFAOYSA-N
MW167.12 g/mol
LogP-0.49
Rot. Bonds

About 3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione

3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione (PubChem CID 72942980) has the molecular formula C6H5N3O3 and a molecular weight of 167.12 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione
PubChem CID72942980
Molecular FormulaC6H5N3O3
Molecular Weight167.12 g/mol
Exact Mass167.03
IUPAC Name3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione
SMILESCc1onc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C6H5N3O3/c1-2-3-4(9-12-2)6(11)8-7-5(3)10/h1H3,(H,7,10)(H,8,11)
InChIKeyULEBZJGPULNUSV-UHFFFAOYSA-N
XLogP-0.49
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione?
The IUPAC name of 3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione (CID 72942980) is 3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione.
What is the SMILES notation for 3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione?
The canonical SMILES for 3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione is Cc1onc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione?
The InChIKey is ULEBZJGPULNUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3/c1-2-3-4(9-12-2)6(11)8-7-5(3)10/h1H3,(H,7,10)(H,8,11).
What are the key properties of 3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione?
3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione has a molecular weight of 167.12 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydro-[1,2]oxazolo[3,4-d]pyridazine-4,7-dione is sourced from PubChem (CID 72942980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).