5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane

C9H14N4O — CID 145187400

IUPAC5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane
SMILESCC.Cc1nn(C)c(=O)c2[nH]cnc12
InChIInChI=1S/C7H8N4O.C2H6/c1-4-5-6(9-3-8-5)7(12)11(2)10-4;1-2/h3H,1-2H3,(H,8,9);1-2H3
InChIKeyPVZFBRVYYJYXME-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.99
Rot. Bonds

About 5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane

5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane (PubChem CID 145187400) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane.

Molecular Properties

Compound Name5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane
PubChem CID145187400
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane
SMILESCC.Cc1nn(C)c(=O)c2[nH]cnc12
InChIInChI=1S/C7H8N4O.C2H6/c1-4-5-6(9-3-8-5)7(12)11(2)10-4;1-2/h3H,1-2H3,(H,8,9);1-2H3
InChIKeyPVZFBRVYYJYXME-UHFFFAOYSA-N
XLogP0.99
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane
CID 142357915
7-amino-5-methyl-3H-imidazo[4,5-c]pyridin-4-one
CID 84716966
1-oxido-7H-purin-6-one
CID 71438070
[1,3-dimethyl-5-(7H-purin-6-ylsulfanyl)pyrazol-4-yl]methanol
CID 63834953
1,7-dihydropurin-6-one
CID 135546991
7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 118418351
1,3-dimethyl-7H-purine-2,6-dione;molecular iodine
CID 160576225
6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 39892488
5-chloro-2,4,6-trimethylpyridazin-3-one
CID 89488103
azane;1,7-dihydropurin-6-one
CID 158320966
4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole
CID 121434485
4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137025541

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane?
The IUPAC name of 5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane (CID 145187400) is 5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane.
What is the SMILES notation for 5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane?
The canonical SMILES for 5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane is CC.Cc1nn(C)c(=O)c2[nH]cnc12.
What is the InChIKey of 5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane?
The InChIKey is PVZFBRVYYJYXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O.C2H6/c1-4-5-6(9-3-8-5)7(12)11(2)10-4;1-2/h3H,1-2H3,(H,8,9);1-2H3.
What are the key properties of 5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane?
5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane has a molecular weight of 194.24 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane is sourced from PubChem (CID 145187400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).