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

C11H15N5O2 — CID 102609153

IUPAC6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCOC1CC(Nc2ccc3n[nH]c(=O)n3n2)C1
InChIInChI=1S/C11H15N5O2/c1-2-18-8-5-7(6-8)12-9-3-4-10-13-14-11(17)16(10)15-9/h3-4,7-8H,2,5-6H2,1H3,(H,12,15)(H,14,17)
InChIKeyTVJQZIDPNHQCBM-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.40
Rot. Bonds4

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

6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 102609153) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID102609153
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCOC1CC(Nc2ccc3n[nH]c(=O)n3n2)C1
InChIInChI=1S/C11H15N5O2/c1-2-18-8-5-7(6-8)12-9-3-4-10-13-14-11(17)16(10)15-9/h3-4,7-8H,2,5-6H2,1H3,(H,12,15)(H,14,17)
InChIKeyTVJQZIDPNHQCBM-UHFFFAOYSA-N
XLogP0.40
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 102609153) is 6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCOC1CC(Nc2ccc3n[nH]c(=O)n3n2)C1.
What is the InChIKey of 6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is TVJQZIDPNHQCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-2-18-8-5-7(6-8)12-9-3-4-10-13-14-11(17)16(10)15-9/h3-4,7-8H,2,5-6H2,1H3,(H,12,15)(H,14,17).
What are the key properties of 6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 249.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 102609153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).