5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one

C10H14N4O — CID 139494824

IUPAC5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one
SMILESCn1cnc2cnn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C10H14N4O/c1-10(2,3)14-9(15)8-7(5-12-14)11-6-13(8)4/h5-6H,1-4H3
InChIKeyRRTRISJSLWGFJC-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.88
Rot. Bonds

About 5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one

5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one (PubChem CID 139494824) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one
PubChem CID139494824
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one
SMILESCn1cnc2cnn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C10H14N4O/c1-10(2,3)14-9(15)8-7(5-12-14)11-6-13(8)4/h5-6H,1-4H3
InChIKeyRRTRISJSLWGFJC-UHFFFAOYSA-N
XLogP0.88
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one (CID 139494824) is 5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one is Cn1cnc2cnn(C(C)(C)C)c(=O)c21.
What is the InChIKey of 5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one?
The InChIKey is RRTRISJSLWGFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-10(2,3)14-9(15)8-7(5-12-14)11-6-13(8)4/h5-6H,1-4H3.
What are the key properties of 5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one?
5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one has a molecular weight of 206.25 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 139494824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).