6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C19H23N7O — CID 126941642

About 6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941642) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one
• PubChem CID: 126941642
• Molecular Formula: C19H23N7O
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.20
• IUPAC Name: 6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one
• SMILES: Cc1cc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)n2ncnc2n1
• InChI: InChI=1S/C19H23N7O/c1-13-8-17(26-19(23-13)20-11-22-26)24-6-4-14(5-7-24)10-25-12-21-16(9-18(25)27)15-2-3-15/h8-9,11-12,14-15H,2-7,10H2,1H3
• InChIKey: VAXMOCGOIDPEJK-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 81.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941642) is 6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

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

The canonical SMILES for 6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)n2ncnc2n1.

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

The InChIKey is VAXMOCGOIDPEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-13-8-17(26-19(23-13)20-11-22-26)24-6-4-14(5-7-24)10-25-12-21-16(9-18(25)27)15-2-3-15/h8-9,11-12,14-15H,2-7,10H2,1H3.

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

6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 365.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).