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;6-[[4-(1-fluoroethoxy)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

C77H79BrF8N28O5S2 — CID 158495687

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;6-[[4-(1-fluoroethoxy)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;6-[[4-(1-fluoroethoxy)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 158495687) has the molecular formula C77H79BrF8N28O5S2 and a molecular weight of 1772.69 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;6-[[4-(1-fluoroethoxy)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;6-[[4-(1-fluoroethoxy)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: 158495687
• Molecular Formula: C77H79BrF8N28O5S2
• Molecular Weight: 1772.69 g/mol
• Exact Mass: 1770.53
• 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;6-[[4-(1-fluoroethoxy)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(OC(C)F)cc1.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.C15H16FN5O.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;1-9-13(14(17)21-15(20-9)18-8-19-21)7-11-3-5-12(6-4-11)22-10(2)16;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;3-6,8,10H,7,17H2,1-2H3;2-5,7H,6,18H2,1H3;1H4
• InChIKey: HJGIEQPUGHIHBN-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 445.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1772.69
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

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;6-[[4-(1-fluoroethoxy)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;6-[[4-(1-fluoroethoxy)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 158495687) 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;6-[[4-(1-fluoroethoxy)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;6-[[4-(1-fluoroethoxy)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;6-[[4-(1-fluoroethoxy)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(OC(C)F)cc1.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;6-[[4-(1-fluoroethoxy)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 HJGIEQPUGHIHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN8.C16H17F2N5O.C15H15F2N5OS.C15H16FN5O.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;1-9-13(14(17)21-15(20-9)18-8-19-21)7-11-3-5-12(6-4-11)22-10(2)16;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;3-6,8,10H,7,17H2,1-2H3;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;6-[[4-(1-fluoroethoxy)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;6-[[4-(1-fluoroethoxy)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 1772.69 g/mol, XLogP of 12.14, 18 rotatable bonds, 5 hydrogen bond donors, and 33 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;6-[[4-(1-fluoroethoxy)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 158495687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).