1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine

C19H28N6O2 — CID 126918275

About 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine

1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine (PubChem CID 126918275) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine.

Molecular Properties

• Compound Name: 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine
• PubChem CID: 126918275
• Molecular Formula: C19H28N6O2
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.23
• IUPAC Name: 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine
• SMILES: CN(Cc1nnc(C2CCOC2)o1)C1CN(c2ccc(C(C)(C)C)nn2)C1
• InChI: InChI=1S/C19H28N6O2/c1-19(2,3)15-5-6-16(21-20-15)25-9-14(10-25)24(4)11-17-22-23-18(27-17)13-7-8-26-12-13/h5-6,13-14H,7-12H2,1-4H3
• InChIKey: POXWAPDIZXFWRF-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 80.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine?

The IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine (CID 126918275) is 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine.

What is the SMILES notation for 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine?

The canonical SMILES for 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine is CN(Cc1nnc(C2CCOC2)o1)C1CN(c2ccc(C(C)(C)C)nn2)C1.

What is the InChIKey of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine?

The InChIKey is POXWAPDIZXFWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-19(2,3)15-5-6-16(21-20-15)25-9-14(10-25)24(4)11-17-22-23-18(27-17)13-7-8-26-12-13/h5-6,13-14H,7-12H2,1-4H3.

What are the key properties of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine?

1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine has a molecular weight of 372.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine is sourced from PubChem (CID 126918275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).