5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine

C11H17N3O — CID 130267566

IUPAC5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine
SMILESCC(C)(C)c1cnnc(NC2COC2)c1
InChIInChI=1S/C11H17N3O/c1-11(2,3)8-4-10(14-12-5-8)13-9-6-15-7-9/h4-5,9H,6-7H2,1-3H3,(H,13,14)
InChIKeySGBIBOIYHCCTBV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.58
Rot. Bonds2

About 5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine

5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine (PubChem CID 130267566) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine
PubChem CID130267566
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine
SMILESCC(C)(C)c1cnnc(NC2COC2)c1
InChIInChI=1S/C11H17N3O/c1-11(2,3)8-4-10(14-12-5-8)13-9-6-15-7-9/h4-5,9H,6-7H2,1-3H3,(H,13,14)
InChIKeySGBIBOIYHCCTBV-UHFFFAOYSA-N
XLogP1.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine?
The IUPAC name of 5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine (CID 130267566) is 5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine.
What is the SMILES notation for 5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine?
The canonical SMILES for 5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine is CC(C)(C)c1cnnc(NC2COC2)c1.
What is the InChIKey of 5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine?
The InChIKey is SGBIBOIYHCCTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2,3)8-4-10(14-12-5-8)13-9-6-15-7-9/h4-5,9H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine?
5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine has a molecular weight of 207.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(oxetan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 130267566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).