6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile

C17H18N6 — CID 126918567

About 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile

6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 126918567) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile
• PubChem CID: 126918567
• Molecular Formula: C17H18N6
• Molecular Weight: 306.37 g/mol
• Exact Mass: 306.16
• IUPAC Name: 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile
• SMILES: N#Cc1ccc(NCC2CN(c3cc4c(nn3)CCC4)C2)nc1
• InChI: InChI=1S/C17H18N6/c18-7-12-4-5-16(19-8-12)20-9-13-10-23(11-13)17-6-14-2-1-3-15(14)21-22-17/h4-6,8,13H,1-3,9-11H2,(H,19,20)
• InChIKey: FVDQAHLKPQPAGE-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 77.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.37
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile?

The IUPAC name of 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile (CID 126918567) is 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile?

The canonical SMILES for 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCC2CN(c3cc4c(nn3)CCC4)C2)nc1.

What is the InChIKey of 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile?

The InChIKey is FVDQAHLKPQPAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c18-7-12-4-5-16(19-8-12)20-9-13-10-23(11-13)17-6-14-2-1-3-15(14)21-22-17/h4-6,8,13H,1-3,9-11H2,(H,19,20).

What are the key properties of 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile?

6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 126918567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).