6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C10H11N7O2 — CID 103756594

IUPAC6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1noc(CCNc2ccc3n[nH]c(=O)n3n2)n1
InChIInChI=1S/C10H11N7O2/c1-6-12-9(19-16-6)4-5-11-7-2-3-8-13-14-10(18)17(8)15-7/h2-3H,4-5H2,1H3,(H,11,15)(H,14,18)
InChIKeyAOOJMWXMBVPCJW-UHFFFAOYSA-N
MW261.25 g/mol
LogP-0.24
Rot. Bonds4

About 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 103756594) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID103756594
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1noc(CCNc2ccc3n[nH]c(=O)n3n2)n1
InChIInChI=1S/C10H11N7O2/c1-6-12-9(19-16-6)4-5-11-7-2-3-8-13-14-10(18)17(8)15-7/h2-3H,4-5H2,1H3,(H,11,15)(H,14,18)
InChIKeyAOOJMWXMBVPCJW-UHFFFAOYSA-N
XLogP-0.24
TPSA114.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 103756594) is 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Cc1noc(CCNc2ccc3n[nH]c(=O)n3n2)n1.
What is the InChIKey of 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is AOOJMWXMBVPCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c1-6-12-9(19-16-6)4-5-11-7-2-3-8-13-14-10(18)17(8)15-7/h2-3H,4-5H2,1H3,(H,11,15)(H,14,18).
What are the key properties of 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 261.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 103756594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).