3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one

C9H10N4O — CID 166563740

IUPAC3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one
SMILESCC(C)c1cc2[nH]ncc(=O)c2nn1
InChIInChI=1S/C9H10N4O/c1-5(2)6-3-7-9(13-12-6)8(14)4-10-11-7/h3-5H,1-2H3,(H,11,14)
InChIKeyGXEYNDSFQZTIIN-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.84
Rot. Bonds1

About 3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one

3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one (PubChem CID 166563740) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one.

Molecular Properties

Compound Name3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one
PubChem CID166563740
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one
SMILESCC(C)c1cc2[nH]ncc(=O)c2nn1
InChIInChI=1S/C9H10N4O/c1-5(2)6-3-7-9(13-12-6)8(14)4-10-11-7/h3-5H,1-2H3,(H,11,14)
InChIKeyGXEYNDSFQZTIIN-UHFFFAOYSA-N
XLogP0.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one
CID 130232839
ethane;5-propan-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 171795656
3,5,7-tri(propan-2-yl)-6H-pyrrolo[3,4-c]pyridazine
CID 170937988
6-methyl-5-propan-2-yl-1H-indazole
CID 58371515
7-propan-2-yl-1H-1,6-naphthyridin-4-one
CID 122697402
6,7-dimethoxy-1H-cinnolin-4-one
CID 12932777
6,7-dibromo-1H-cinnolin-4-one
CID 165443334
5-chloro-3-propan-2-ylpyridazine
CID 117106924
3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine
CID 122697373
6-methyl-4,5-di(propan-2-yl)-1H-indazole
CID 171650760
methyl 4-oxo-1H-cinnoline-6-carboxylate
CID 67119550
5,6-dimethyl-1H-pyridazin-4-one
CID 123691408

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one?
The IUPAC name of 3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one (CID 166563740) is 3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one.
What is the SMILES notation for 3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one?
The canonical SMILES for 3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one is CC(C)c1cc2[nH]ncc(=O)c2nn1.
What is the InChIKey of 3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one?
The InChIKey is GXEYNDSFQZTIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5(2)6-3-7-9(13-12-6)8(14)4-10-11-7/h3-5H,1-2H3,(H,11,14).
What are the key properties of 3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one?
3-propan-2-yl-5H-pyridazino[4,3-c]pyridazin-8-one has a molecular weight of 190.21 g/mol, XLogP of 0.84, 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-pyridazino[4,3-c]pyridazin-8-one is sourced from PubChem (CID 166563740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).