6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C7H8N4 — CID 683683

IUPAC6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(C)c2nncn2n1
InChIInChI=1S/C7H8N4/c1-5-3-6(2)10-11-4-8-9-7(5)11/h3-4H,1-2H3
InChIKeyONNPSHRCILKBMB-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.74
Rot. Bonds

About 6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 683683) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID683683
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(C)c2nncn2n1
InChIInChI=1S/C7H8N4/c1-5-3-6(2)10-11-4-8-9-7(5)11/h3-4H,1-2H3
InChIKeyONNPSHRCILKBMB-UHFFFAOYSA-N
XLogP0.74
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 683683) is 6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(C)c2nncn2n1.
What is the InChIKey of 6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ONNPSHRCILKBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-5-3-6(2)10-11-4-8-9-7(5)11/h3-4H,1-2H3.
What are the key properties of 6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 148.17 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 683683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).