5-methyl-N-(oxetan-3-yl)pyridazin-3-amine

C8H11N3O — CID 118549405

IUPAC5-methyl-N-(oxetan-3-yl)pyridazin-3-amine
SMILESCc1cnnc(NC2COC2)c1
InChIInChI=1S/C8H11N3O/c1-6-2-8(11-9-3-6)10-7-4-12-5-7/h2-3,7H,4-5H2,1H3,(H,10,11)
InChIKeyDUXVVGSNGUXHLS-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.60
Rot. Bonds2

About 5-methyl-N-(oxetan-3-yl)pyridazin-3-amine

5-methyl-N-(oxetan-3-yl)pyridazin-3-amine (PubChem CID 118549405) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-methyl-N-(oxetan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(oxetan-3-yl)pyridazin-3-amine
PubChem CID118549405
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-methyl-N-(oxetan-3-yl)pyridazin-3-amine
SMILESCc1cnnc(NC2COC2)c1
InChIInChI=1S/C8H11N3O/c1-6-2-8(11-9-3-6)10-7-4-12-5-7/h2-3,7H,4-5H2,1H3,(H,10,11)
InChIKeyDUXVVGSNGUXHLS-UHFFFAOYSA-N
XLogP0.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxetan-3-yl)pyridazin-3-amine?
The IUPAC name of 5-methyl-N-(oxetan-3-yl)pyridazin-3-amine (CID 118549405) is 5-methyl-N-(oxetan-3-yl)pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-(oxetan-3-yl)pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-(oxetan-3-yl)pyridazin-3-amine is Cc1cnnc(NC2COC2)c1.
What is the InChIKey of 5-methyl-N-(oxetan-3-yl)pyridazin-3-amine?
The InChIKey is DUXVVGSNGUXHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-2-8(11-9-3-6)10-7-4-12-5-7/h2-3,7H,4-5H2,1H3,(H,10,11).
What are the key properties of 5-methyl-N-(oxetan-3-yl)pyridazin-3-amine?
5-methyl-N-(oxetan-3-yl)pyridazin-3-amine has a molecular weight of 165.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxetan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 118549405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).