6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one

C20H25N7O2 — CID 126935189

About 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one

6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one (PubChem CID 126935189) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one
• PubChem CID: 126935189
• Molecular Formula: C20H25N7O2
• Molecular Weight: 395.47 g/mol
• Exact Mass: 395.21
• IUPAC Name: 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one
• SMILES: COCc1cc(NC2CCC(n3nc(C4CC4)ccc3=O)CC2)n2ncnc2n1
• InChI: InChI=1S/C20H25N7O2/c1-29-11-15-10-18(27-20(24-15)21-12-22-27)23-14-4-6-16(7-5-14)26-19(28)9-8-17(25-26)13-2-3-13/h8-10,12-14,16,23H,2-7,11H2,1H3
• InChIKey: CNZQRPICEXQUNS-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 99.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.47
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one?

The IUPAC name of 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one (CID 126935189) is 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one.

What is the SMILES notation for 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one?

The canonical SMILES for 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one is COCc1cc(NC2CCC(n3nc(C4CC4)ccc3=O)CC2)n2ncnc2n1.

What is the InChIKey of 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one?

The InChIKey is CNZQRPICEXQUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-29-11-15-10-18(27-20(24-15)21-12-22-27)23-14-4-6-16(7-5-14)26-19(28)9-8-17(25-26)13-2-3-13/h8-10,12-14,16,23H,2-7,11H2,1H3.

What are the key properties of 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one?

6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one has a molecular weight of 395.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126935189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).