5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile

C18H20N6O2 — CID 126936138

About 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile

5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile (PubChem CID 126936138) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile
• PubChem CID: 126936138
• Molecular Formula: C18H20N6O2
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.16
• IUPAC Name: 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile
• SMILES: N#Cc1cnc(NC2CCC(n3nc4c(cc3=O)COCC4)CC2)cn1
• InChI: InChI=1S/C18H20N6O2/c19-8-14-9-21-17(10-20-14)22-13-1-3-15(4-2-13)24-18(25)7-12-11-26-6-5-16(12)23-24/h7,9-10,13,15H,1-6,11H2,(H,21,22)
• InChIKey: GSVBGVWIRZUJJI-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 105.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile (CID 126936138) is 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(NC2CCC(n3nc4c(cc3=O)COCC4)CC2)cn1.

What is the InChIKey of 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile?

The InChIKey is GSVBGVWIRZUJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c19-8-14-9-21-17(10-20-14)22-13-1-3-15(4-2-13)24-18(25)7-12-11-26-6-5-16(12)23-24/h7,9-10,13,15H,1-6,11H2,(H,21,22).

What are the key properties of 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile?

5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile has a molecular weight of 352.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 126936138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).