5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C73H71N19O8 — CID 157112257

About 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 157112257) has the molecular formula C73H71N19O8 and a molecular weight of 1342.50 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 157112257
• Molecular Formula: C73H71N19O8
• Molecular Weight: 1342.50 g/mol
• Exact Mass: 1341.57
• IUPAC Name: 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• SMILES: C=C(C)N1CCC(OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)CC1.CN1CCC(OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)CC1.O=c1cc(COc2ccccc2)nc2nc(-c3ccccc3)[nH]n12.O=c1cc(COc2ccccn2)nc2nc(-c3ccccc3)[nH]n12
• InChI: InChI=1S/C20H23N5O2.C18H21N5O2.C18H14N4O2.C17H13N5O2/c1-14(2)24-10-8-17(9-11-24)27-13-16-12-18(26)25-20(21-16)22-19(23-25)15-6-4-3-5-7-15;1-22-9-7-15(8-10-22)25-12-14-11-16(24)23-18(19-14)20-17(21-23)13-5-3-2-4-6-13;23-16-11-14(12-24-15-9-5-2-6-10-15)19-18-20-17(21-22(16)18)13-7-3-1-4-8-13;23-15-10-13(11-24-14-8-4-5-9-18-14)19-17-20-16(21-22(15)17)12-6-2-1-3-7-12/h3-7,12,17H,1,8-11,13H2,2H3,(H,21,22,23);2-6,11,15H,7-10,12H2,1H3,(H,19,20,21);1-11H,12H2,(H,19,20,21);1-10H,11H2,(H,19,20,21)
• InChIKey: AGZKBTXVADQPPD-UHFFFAOYSA-N
• XLogP: 9.02
• TPSA: 308.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1342.50
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 157112257) is 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is C=C(C)N1CCC(OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)CC1.CN1CCC(OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)CC1.O=c1cc(COc2ccccc2)nc2nc(-c3ccccc3)[nH]n12.O=c1cc(COc2ccccn2)nc2nc(-c3ccccc3)[nH]n12.

What is the InChIKey of 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

The InChIKey is AGZKBTXVADQPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.C18H21N5O2.C18H14N4O2.C17H13N5O2/c1-14(2)24-10-8-17(9-11-24)27-13-16-12-18(26)25-20(21-16)22-19(23-25)15-6-4-3-5-7-15;1-22-9-7-15(8-10-22)25-12-14-11-16(24)23-18(19-14)20-17(21-23)13-5-3-2-4-6-13;23-16-11-14(12-24-15-9-5-2-6-10-15)19-18-20-17(21-22(16)18)13-7-3-1-4-8-13;23-15-10-13(11-24-14-8-4-5-9-18-14)19-17-20-16(21-22(15)17)12-6-2-1-3-7-12/h3-7,12,17H,1,8-11,13H2,2H3,(H,21,22,23);2-6,11,15H,7-10,12H2,1H3,(H,19,20,21);1-11H,12H2,(H,19,20,21);1-10H,11H2,(H,19,20,21).

What are the key properties of 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 1342.50 g/mol, XLogP of 9.02, 17 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1-methylpiperidin-4-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-(phenoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-(pyridin-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 157112257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).