3-methyl-1H-imidazo[4,5-d]pyridazin-2-one

C6H6N4O — CID 130251235

IUPAC3-methyl-1H-imidazo[4,5-d]pyridazin-2-one
SMILESCn1c(=O)[nH]c2cnncc21
InChIInChI=1S/C6H6N4O/c1-10-5-3-8-7-2-4(5)9-6(10)11/h2-3H,1H3,(H,9,11)
InChIKeyTUIZUOZPXAAVJT-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.34
Rot. Bonds

About 3-methyl-1H-imidazo[4,5-d]pyridazin-2-one

3-methyl-1H-imidazo[4,5-d]pyridazin-2-one (PubChem CID 130251235) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-methyl-1H-imidazo[4,5-d]pyridazin-2-one.

Molecular Properties

Compound Name3-methyl-1H-imidazo[4,5-d]pyridazin-2-one
PubChem CID130251235
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name3-methyl-1H-imidazo[4,5-d]pyridazin-2-one
SMILESCn1c(=O)[nH]c2cnncc21
InChIInChI=1S/C6H6N4O/c1-10-5-3-8-7-2-4(5)9-6(10)11/h2-3H,1H3,(H,9,11)
InChIKeyTUIZUOZPXAAVJT-UHFFFAOYSA-N
XLogP-0.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-[5-(trifluoromethyl)pyridazin-4-yl]urea
CID 121293266
N-(4-pyridazinyl)-N'-(1-methylethyl)urea
CID 14099145
5,7-Dihydroimidazo[4,5-c]pyridazin-6-one
CID 15573991
1-Ethyl-3-pyridazin-4-ylurea
CID 20150032
1-Butyl-3-pyridazin-4-ylurea
CID 20150034
1-Butyl-1-methyl-3-pyridazin-4-ylurea
CID 53633200
1-Tert-butyl-1-methyl-3-pyridazin-4-ylurea
CID 54041078
7-propan-2-yl-5H-imidazo[4,5-c]pyridazin-6-one
CID 58812164
7-methyl-5H-imidazo[4,5-c]pyridazin-6-one
CID 68217998
1,4,6,7-Tetrahydropyrazolo[4,5-d]pyrimidin-5-one
CID 83872267
3-propan-2-yl-1H-imidazo[4,5-d]pyridazin-2-one
CID 122697125
5-methyl-7H-imidazo[4,5-c]pyridazin-6-one
CID 130250896

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-imidazo[4,5-d]pyridazin-2-one?
The IUPAC name of 3-methyl-1H-imidazo[4,5-d]pyridazin-2-one (CID 130251235) is 3-methyl-1H-imidazo[4,5-d]pyridazin-2-one.
What is the SMILES notation for 3-methyl-1H-imidazo[4,5-d]pyridazin-2-one?
The canonical SMILES for 3-methyl-1H-imidazo[4,5-d]pyridazin-2-one is Cn1c(=O)[nH]c2cnncc21.
What is the InChIKey of 3-methyl-1H-imidazo[4,5-d]pyridazin-2-one?
The InChIKey is TUIZUOZPXAAVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-10-5-3-8-7-2-4(5)9-6(10)11/h2-3H,1H3,(H,9,11).
What are the key properties of 3-methyl-1H-imidazo[4,5-d]pyridazin-2-one?
3-methyl-1H-imidazo[4,5-d]pyridazin-2-one has a molecular weight of 150.14 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-imidazo[4,5-d]pyridazin-2-one is sourced from PubChem (CID 130251235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).