7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C7H8N4O — CID 147193497

IUPAC7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1cnn2c(=O)[nH]nc2c1C
InChIInChI=1S/C7H8N4O/c1-4-3-8-11-6(5(4)2)9-10-7(11)12/h3H,1-2H3,(H,10,12)
InChIKeyCBXBVEZTLFWRNG-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.03
Rot. Bonds

About 7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 147193497) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID147193497
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1cnn2c(=O)[nH]nc2c1C
InChIInChI=1S/C7H8N4O/c1-4-3-8-11-6(5(4)2)9-10-7(11)12/h3H,1-2H3,(H,10,12)
InChIKeyCBXBVEZTLFWRNG-UHFFFAOYSA-N
XLogP0.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 147193497) is 7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Cc1cnn2c(=O)[nH]nc2c1C.
What is the InChIKey of 7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is CBXBVEZTLFWRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-3-8-11-6(5(4)2)9-10-7(11)12/h3H,1-2H3,(H,10,12).
What are the key properties of 7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 164.17 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 147193497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).