3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one

C8H10N4O — CID 67472265

IUPAC3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
SMILESCC(C)c1nnc2ccc(=O)[nH]n12
InChIInChI=1S/C8H10N4O/c1-5(2)8-10-9-6-3-4-7(13)11-12(6)8/h3-5H,1-2H3,(H,11,13)
InChIKeyCESITNWTVDASFD-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.54
Rot. Bonds1

About 3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one

3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one (PubChem CID 67472265) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one.

Molecular Properties

Compound Name3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
PubChem CID67472265
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
SMILESCC(C)c1nnc2ccc(=O)[nH]n12
InChIInChI=1S/C8H10N4O/c1-5(2)8-10-9-6-3-4-7(13)11-12(6)8/h3-5H,1-2H3,(H,11,13)
InChIKeyCESITNWTVDASFD-UHFFFAOYSA-N
XLogP0.54
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
The IUPAC name of 3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one (CID 67472265) is 3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one.
What is the SMILES notation for 3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
The canonical SMILES for 3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one is CC(C)c1nnc2ccc(=O)[nH]n12.
What is the InChIKey of 3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
The InChIKey is CESITNWTVDASFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5(2)8-10-9-6-3-4-7(13)11-12(6)8/h3-5H,1-2H3,(H,11,13).
What are the key properties of 3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one has a molecular weight of 178.19 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one is sourced from PubChem (CID 67472265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).