3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

C8H9N3O2 — CID 2745399

IUPAC3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1nn(C)c(=O)c2c(C)noc12
InChIInChI=1S/C8H9N3O2/c1-4-6-7(13-10-4)5(2)9-11(3)8(6)12/h1-3H3
InChIKeyUJCBSLKOIBHRLP-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.54
Rot. Bonds

About 3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 2745399) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID2745399
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1nn(C)c(=O)c2c(C)noc12
InChIInChI=1S/C8H9N3O2/c1-4-6-7(13-10-4)5(2)9-11(3)8(6)12/h1-3H3
InChIKeyUJCBSLKOIBHRLP-UHFFFAOYSA-N
XLogP0.54
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 2745399) is 3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one is Cc1nn(C)c(=O)c2c(C)noc12.
What is the InChIKey of 3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is UJCBSLKOIBHRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4-6-7(13-10-4)5(2)9-11(3)8(6)12/h1-3H3.
What are the key properties of 3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 179.18 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 2745399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).