2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile

C24H20N10O — CID 175743346

About 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile

2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile (PubChem CID 175743346) has the molecular formula C24H20N10O and a molecular weight of 464.49 g/mol. Its IUPAC name is 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
• PubChem CID: 175743346
• Molecular Formula: C24H20N10O
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.18
• IUPAC Name: 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
• SMILES: Cc1cccc(CNc2nc3c(-c4ccc(=O)n(C)n4)c(-c4ccccc4C#N)nc(N)n3n2)n1
• InChI: InChI=1S/C24H20N10O/c1-14-6-5-8-16(28-14)13-27-24-30-22-20(18-10-11-19(35)33(2)31-18)21(29-23(26)34(22)32-24)17-9-4-3-7-15(17)12-25/h3-11H,13H2,1-2H3,(H2,26,29)(H,27,32)
• InChIKey: YDKKAWZOULNAPS-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 152.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?

The IUPAC name of 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile (CID 175743346) is 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile.

What is the SMILES notation for 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?

The canonical SMILES for 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile is Cc1cccc(CNc2nc3c(-c4ccc(=O)n(C)n4)c(-c4ccccc4C#N)nc(N)n3n2)n1.

What is the InChIKey of 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?

The InChIKey is YDKKAWZOULNAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N10O/c1-14-6-5-8-16(28-14)13-27-24-30-22-20(18-10-11-19(35)33(2)31-18)21(29-23(26)34(22)32-24)17-9-4-3-7-15(17)12-25/h3-11H,13H2,1-2H3,(H2,26,29)(H,27,32).

What are the key properties of 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?

2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile has a molecular weight of 464.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 175743346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).