5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one

C14H20ClN3O2 — CID 84584838

IUPAC5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one
SMILESCCOC1CC(Nc2cn[nH]c(=O)c2Cl)C12CCCC2
InChIInChI=1S/C14H20ClN3O2/c1-2-20-11-7-10(14(11)5-3-4-6-14)17-9-8-16-18-13(19)12(9)15/h8,10-11H,2-7H2,1H3,(H2,17,18,19)
InChIKeyQJHZAOAKUNXGLW-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.57
Rot. Bonds4

About 5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one

5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one (PubChem CID 84584838) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one
PubChem CID84584838
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one
SMILESCCOC1CC(Nc2cn[nH]c(=O)c2Cl)C12CCCC2
InChIInChI=1S/C14H20ClN3O2/c1-2-20-11-7-10(14(11)5-3-4-6-14)17-9-8-16-18-13(19)12(9)15/h8,10-11H,2-7H2,1H3,(H2,17,18,19)
InChIKeyQJHZAOAKUNXGLW-UHFFFAOYSA-N
XLogP2.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one (CID 84584838) is 5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one is CCOC1CC(Nc2cn[nH]c(=O)c2Cl)C12CCCC2.
What is the InChIKey of 5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one?
The InChIKey is QJHZAOAKUNXGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-2-20-11-7-10(14(11)5-3-4-6-14)17-9-8-16-18-13(19)12(9)15/h8,10-11H,2-7H2,1H3,(H2,17,18,19).
What are the key properties of 5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one has a molecular weight of 297.79 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 84584838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).