1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine

C15H19N5O — CID 126918654

About 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine

1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine (PubChem CID 126918654) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine
• PubChem CID: 126918654
• Molecular Formula: C15H19N5O
• Molecular Weight: 285.35 g/mol
• Exact Mass: 285.16
• IUPAC Name: 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine
• SMILES: c1ncc(CNCC2CN(c3cc4c(nn3)CCC4)C2)o1
• InChI: InChI=1S/C15H19N5O/c1-2-12-4-15(19-18-14(12)3-1)20-8-11(9-20)5-16-6-13-7-17-10-21-13/h4,7,10-11,16H,1-3,5-6,8-9H2
• InChIKey: LYGGWKNFPNYGDE-UHFFFAOYSA-N
• XLogP: 1.18
• TPSA: 67.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.35
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine?

The IUPAC name of 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine (CID 126918654) is 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine.

What is the SMILES notation for 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine?

The canonical SMILES for 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine is c1ncc(CNCC2CN(c3cc4c(nn3)CCC4)C2)o1.

What is the InChIKey of 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine?

The InChIKey is LYGGWKNFPNYGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-12-4-15(19-18-14(12)3-1)20-8-11(9-20)5-16-6-13-7-17-10-21-13/h4,7,10-11,16H,1-3,5-6,8-9H2.

What are the key properties of 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine?

1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine has a molecular weight of 285.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 126918654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).