6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C7H9N5 — CID 58136866

IUPAC6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCc1ccc2nnc(N)n2n1
InChIInChI=1S/C7H9N5/c1-2-5-3-4-6-9-10-7(8)12(6)11-5/h3-4H,2H2,1H3,(H2,8,10)
InChIKeyVOROJXAKCCHNCJ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.27
Rot. Bonds1

About 6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 58136866) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID58136866
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCc1ccc2nnc(N)n2n1
InChIInChI=1S/C7H9N5/c1-2-5-3-4-6-9-10-7(8)12(6)11-5/h3-4H,2H2,1H3,(H2,8,10)
InChIKeyVOROJXAKCCHNCJ-UHFFFAOYSA-N
XLogP0.27
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 58136866) is 6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is CCc1ccc2nnc(N)n2n1.
What is the InChIKey of 6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is VOROJXAKCCHNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-5-3-4-6-9-10-7(8)12(6)11-5/h3-4H,2H2,1H3,(H2,8,10).
What are the key properties of 6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 163.18 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 58136866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).