7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one

C9H10N4O — CID 122696637

IUPAC7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one
SMILESCC(C)n1ncc2ccnnc2c1=O
InChIInChI=1S/C9H10N4O/c1-6(2)13-9(14)8-7(5-11-13)3-4-10-12-8/h3-6H,1-2H3
InChIKeyLVJZJNNDRZOPMP-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.77
Rot. Bonds1

About 7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one

7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one (PubChem CID 122696637) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one.

Molecular Properties

Compound Name7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one
PubChem CID122696637
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one
SMILESCC(C)n1ncc2ccnnc2c1=O
InChIInChI=1S/C9H10N4O/c1-6(2)13-9(14)8-7(5-11-13)3-4-10-12-8/h3-6H,1-2H3
InChIKeyLVJZJNNDRZOPMP-UHFFFAOYSA-N
XLogP0.77
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one?
The IUPAC name of 7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one (CID 122696637) is 7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one.
What is the SMILES notation for 7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one?
The canonical SMILES for 7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one is CC(C)n1ncc2ccnnc2c1=O.
What is the InChIKey of 7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one?
The InChIKey is LVJZJNNDRZOPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6(2)13-9(14)8-7(5-11-13)3-4-10-12-8/h3-6H,1-2H3.
What are the key properties of 7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one?
7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one has a molecular weight of 190.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylpyridazino[4,5-c]pyridazin-8-one is sourced from PubChem (CID 122696637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).