6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C62H63BrF7N23O4S2 — CID 158029600

About 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158029600) has the molecular formula C62H63BrF7N23O4S2 and a molecular weight of 1471.37 g/mol. Its IUPAC name is 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158029600
• Molecular Formula: C62H63BrF7N23O4S2
• Molecular Weight: 1471.37 g/mol
• Exact Mass: 1469.39
• IUPAC Name: 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: C.COc1cc(Cc2c(C)nc3ncnn3c2N)ccc1C(C)(F)F.Cc1cnn(-c2nc(Cc3c(C)nc4ncnn4c3N)ccc2Br)c1.Cc1nc2ncnn2c(N)c1Cc1ccc(S(=O)(=O)C(F)(F)F)cc1.Cc1nc2ncnn2c(N)c1Cc1ccc(S(=O)C(C)(F)F)cc1
• InChI: InChI=1S/C16H15BrN8.C16H17F2N5O.C15H15F2N5OS.C14H12F3N5O2S.CH4/c1-9-6-20-24(7-9)15-13(17)4-3-11(23-15)5-12-10(2)22-16-19-8-21-25(16)14(12)18;1-9-11(14(19)23-15(22-9)20-8-21-23)6-10-4-5-12(16(2,17)18)13(7-10)24-3;1-9-12(13(18)22-14(21-9)19-8-20-22)7-10-3-5-11(6-4-10)24(23)15(2,16)17;1-8-11(12(18)22-13(21-8)19-7-20-22)6-9-2-4-10(5-3-9)25(23,24)14(15,16)17;/h3-4,6-8H,5,18H2,1-2H3;4-5,7-8H,6,19H2,1-3H3;3-6,8H,7,18H2,1-2H3;2-5,7H,6,18H2,1H3;1H4
• InChIKey: FHADLVIBCZGSLI-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 367.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1471.37
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 158029600) is 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C.COc1cc(Cc2c(C)nc3ncnn3c2N)ccc1C(C)(F)F.Cc1cnn(-c2nc(Cc3c(C)nc4ncnn4c3N)ccc2Br)c1.Cc1nc2ncnn2c(N)c1Cc1ccc(S(=O)(=O)C(F)(F)F)cc1.Cc1nc2ncnn2c(N)c1Cc1ccc(S(=O)C(C)(F)F)cc1.

What is the InChIKey of 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FHADLVIBCZGSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN8.C16H17F2N5O.C15H15F2N5OS.C14H12F3N5O2S.CH4/c1-9-6-20-24(7-9)15-13(17)4-3-11(23-15)5-12-10(2)22-16-19-8-21-25(16)14(12)18;1-9-11(14(19)23-15(22-9)20-8-21-23)6-10-4-5-12(16(2,17)18)13(7-10)24-3;1-9-12(13(18)22-14(21-9)19-8-20-22)7-10-3-5-11(6-4-10)24(23)15(2,16)17;1-8-11(12(18)22-13(21-8)19-7-20-22)6-9-2-4-10(5-3-9)25(23,24)14(15,16)17;/h3-4,6-8H,5,18H2,1-2H3;4-5,7-8H,6,19H2,1-3H3;3-6,8H,7,18H2,1-2H3;2-5,7H,6,18H2,1H3;1H4.

What are the key properties of 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1471.37 g/mol, XLogP of 9.84, 14 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158029600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).