8-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C6H6N4 — CID 584076

IUPAC8-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccnn2cnnc12
InChIInChI=1S/C6H6N4/c1-5-2-3-8-10-4-7-9-6(5)10/h2-4H,1H3
InChIKeyYTVZMSXMEQKGQH-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.43
Rot. Bonds

About 8-methyl-[1,2,4]triazolo[4,3-b]pyridazine

8-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 584076) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 8-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name8-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID584076
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name8-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccnn2cnnc12
InChIInChI=1S/C6H6N4/c1-5-2-3-8-10-4-7-9-6(5)10/h2-4H,1H3
InChIKeyYTVZMSXMEQKGQH-UHFFFAOYSA-N
XLogP0.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 8-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 584076) is 8-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 8-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 8-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccnn2cnnc12.
What is the InChIKey of 8-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is YTVZMSXMEQKGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-5-2-3-8-10-4-7-9-6(5)10/h2-4H,1H3.
What are the key properties of 8-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
8-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 134.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 584076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).