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

C12H19N5O — CID 58136970

IUPAC7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCc1cc2nnc(N)n2nc1OC(CC)CC
InChIInChI=1S/C12H19N5O/c1-4-8-7-10-14-15-12(13)17(10)16-11(8)18-9(5-2)6-3/h7,9H,4-6H2,1-3H3,(H2,13,15)
InChIKeyLBAYVCXBOSBBIF-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.84
Rot. Bonds5

About 7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 58136970) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID58136970
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCc1cc2nnc(N)n2nc1OC(CC)CC
InChIInChI=1S/C12H19N5O/c1-4-8-7-10-14-15-12(13)17(10)16-11(8)18-9(5-2)6-3/h7,9H,4-6H2,1-3H3,(H2,13,15)
InChIKeyLBAYVCXBOSBBIF-UHFFFAOYSA-N
XLogP1.84
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 58136970) is 7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is CCc1cc2nnc(N)n2nc1OC(CC)CC.
What is the InChIKey of 7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is LBAYVCXBOSBBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-8-7-10-14-15-12(13)17(10)16-11(8)18-9(5-2)6-3/h7,9H,4-6H2,1-3H3,(H2,13,15).
What are the key properties of 7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 249.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 58136970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).