6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C9H13N5O2 — CID 66282273

IUPAC6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCN(CCO)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C9H13N5O2/c1-2-13(5-6-15)8-4-3-7-10-11-9(16)14(7)12-8/h3-4,15H,2,5-6H2,1H3,(H,11,16)
InChIKeyICVWJHQZJHQBNN-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.76
Rot. Bonds4

About 6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282273) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282273
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCN(CCO)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C9H13N5O2/c1-2-13(5-6-15)8-4-3-7-10-11-9(16)14(7)12-8/h3-4,15H,2,5-6H2,1H3,(H,11,16)
InChIKeyICVWJHQZJHQBNN-UHFFFAOYSA-N
XLogP-0.76
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282273) is 6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCN(CCO)c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is ICVWJHQZJHQBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-2-13(5-6-15)8-4-3-7-10-11-9(16)14(7)12-8/h3-4,15H,2,5-6H2,1H3,(H,11,16).
What are the key properties of 6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 223.24 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).