8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C11H17N5O — CID 58045902

IUPAC8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCC(CC)Oc1cc(C)c2nnc(N)n2n1
InChIInChI=1S/C11H17N5O/c1-4-8(5-2)17-9-6-7(3)10-13-14-11(12)16(10)15-9/h6,8H,4-5H2,1-3H3,(H2,12,14)
InChIKeyRVIQYIOZCPDTPM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.58
Rot. Bonds4

About 8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 58045902) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID58045902
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCC(CC)Oc1cc(C)c2nnc(N)n2n1
InChIInChI=1S/C11H17N5O/c1-4-8(5-2)17-9-6-7(3)10-13-14-11(12)16(10)15-9/h6,8H,4-5H2,1-3H3,(H2,12,14)
InChIKeyRVIQYIOZCPDTPM-UHFFFAOYSA-N
XLogP1.58
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 58045902) is 8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is CCC(CC)Oc1cc(C)c2nnc(N)n2n1.
What is the InChIKey of 8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is RVIQYIOZCPDTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-8(5-2)17-9-6-7(3)10-13-14-11(12)16(10)15-9/h6,8H,4-5H2,1-3H3,(H2,12,14).
What are the key properties of 8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 235.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 58045902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).