4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one

C8H9N3O2 — CID 122696717

IUPAC4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one
SMILESCC(C)c1nncc2oc(=O)[nH]c12
InChIInChI=1S/C8H9N3O2/c1-4(2)6-7-5(3-9-11-6)13-8(12)10-7/h3-4H,1-2H3,(H,10,12)
InChIKeyANNRZCJKMPYPOP-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.03
Rot. Bonds1

About 4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one

4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one (PubChem CID 122696717) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one
PubChem CID122696717
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one
SMILESCC(C)c1nncc2oc(=O)[nH]c12
InChIInChI=1S/C8H9N3O2/c1-4(2)6-7-5(3-9-11-6)13-8(12)10-7/h3-4H,1-2H3,(H,10,12)
InChIKeyANNRZCJKMPYPOP-UHFFFAOYSA-N
XLogP1.03
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one?
The IUPAC name of 4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one (CID 122696717) is 4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one.
What is the SMILES notation for 4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one?
The canonical SMILES for 4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one is CC(C)c1nncc2oc(=O)[nH]c12.
What is the InChIKey of 4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one?
The InChIKey is ANNRZCJKMPYPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4(2)6-7-5(3-9-11-6)13-8(12)10-7/h3-4H,1-2H3,(H,10,12).
What are the key properties of 4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one?
4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one has a molecular weight of 179.18 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3H-[1,3]oxazolo[4,5-d]pyridazin-2-one is sourced from PubChem (CID 122696717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).