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

C19H22N10O — CID 126937252

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

2-[4-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (PubChem CID 126937252) has the molecular formula C19H22N10O and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-[4-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[4-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
• PubChem CID: 126937252
• Molecular Formula: C19H22N10O
• Molecular Weight: 406.45 g/mol
• Exact Mass: 406.20
• IUPAC Name: 2-[4-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
• SMILES: Cc1nc2ncnn2c(NC2CCC(n3nc(-n4cncn4)ccc3=O)CC2)c1C
• InChI: InChI=1S/C19H22N10O/c1-12-13(2)24-19-21-10-23-29(19)18(12)25-14-3-5-15(6-4-14)28-17(30)8-7-16(26-28)27-11-20-9-22-27/h7-11,14-15,25H,3-6H2,1-2H3
• InChIKey: HGDZWGLIZRLDMY-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 120.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.45
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[4-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (CID 126937252) is 2-[4-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.

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

The canonical SMILES for 2-[4-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is Cc1nc2ncnn2c(NC2CCC(n3nc(-n4cncn4)ccc3=O)CC2)c1C.

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

The InChIKey is HGDZWGLIZRLDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N10O/c1-12-13(2)24-19-21-10-23-29(19)18(12)25-14-3-5-15(6-4-14)28-17(30)8-7-16(26-28)27-11-20-9-22-27/h7-11,14-15,25H,3-6H2,1-2H3.

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

2-[4-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one has a molecular weight of 406.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is sourced from PubChem (CID 126937252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).