2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C101H112F5N37O4 — CID 163893004

About 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 163893004) has the molecular formula C101H112F5N37O4 and a molecular weight of 2003.25 g/mol. Its IUPAC name is 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• PubChem CID: 163893004
• Molecular Formula: C101H112F5N37O4
• Molecular Weight: 2003.25 g/mol
• Exact Mass: 2001.96
• IUPAC Name: 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• SMILES: Cc1c(-c2cccc(F)c2)nc(N)c2nc([C@@H]3C[C@H]3C(C)(C)O)nn12.Cc1c(-c2cccc(F)c2)nc(N)c2nc([C@H]3C[C@@H]3C(C)(C)O)nn12.Cc1c(-c2cccc(F)c2)nc(N)n2nc([C@@H]3CCCNC3)nc12.Cc1c(-c2ncco2)nc(N)c2nc([C@@H]3CCCN(c4cnn(C)c4)C3)nn12.Cc1c(-c2ncco2)nc(N)n2nc([C@@H]3CCCNC3)nc12.Nc1nc(-c2ccccc2)cc2nc([C@H]3CCC(F)(F)C3)nn12
• InChI: InChI=1S/2C18H20FN5O.C18H21N9O.C17H19FN6.C16H15F2N5.C14H17N7O/c2*1-9-14(10-5-4-6-11(19)7-10)21-15(20)17-22-16(23-24(9)17)12-8-13(12)18(2,3)25;1-11-14(18-20-5-7-28-18)22-15(19)17-23-16(24-27(11)17)12-4-3-6-26(9-12)13-8-21-25(2)10-13;1-10-14(11-4-2-6-13(18)8-11)21-17(19)24-16(10)22-15(23-24)12-5-3-7-20-9-12;17-16(18)7-6-11(9-16)14-21-13-8-12(10-4-2-1-3-5-10)20-15(19)23(13)22-14;1-8-10(13-17-5-6-22-13)18-14(15)21-12(8)19-11(20-21)9-3-2-4-16-7-9/h2*4-7,12-13,25H,8H2,1-3H3,(H2,20,21);5,7-8,10,12H,3-4,6,9H2,1-2H3,(H2,19,22);2,4,6,8,12,20H,3,5,7,9H2,1H3,(H2,19,21);1-5,8,11H,6-7,9H2,(H2,19,20);5-6,9,16H,2-4,7H2,1H3,(H2,15,18)/t2*12-,13-;2*12-;11-;9-/m101101/s1
• InChIKey: QDEMVTDHSKEDKR-WDJZFCHJSA-N
• XLogP: 13.88
• TPSA: 552.24 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 15
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2003.25
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The IUPAC name of 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 163893004) is 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1c(-c2cccc(F)c2)nc(N)c2nc([C@@H]3C[C@H]3C(C)(C)O)nn12.Cc1c(-c2cccc(F)c2)nc(N)c2nc([C@H]3C[C@@H]3C(C)(C)O)nn12.Cc1c(-c2cccc(F)c2)nc(N)n2nc([C@@H]3CCCNC3)nc12.Cc1c(-c2ncco2)nc(N)c2nc([C@@H]3CCCN(c4cnn(C)c4)C3)nn12.Cc1c(-c2ncco2)nc(N)n2nc([C@@H]3CCCNC3)nc12.Nc1nc(-c2ccccc2)cc2nc([C@H]3CCC(F)(F)C3)nn12.

What is the InChIKey of 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The InChIKey is QDEMVTDHSKEDKR-WDJZFCHJSA-N. The full InChI is InChI=1S/2C18H20FN5O.C18H21N9O.C17H19FN6.C16H15F2N5.C14H17N7O/c2*1-9-14(10-5-4-6-11(19)7-10)21-15(20)17-22-16(23-24(9)17)12-8-13(12)18(2,3)25;1-11-14(18-20-5-7-28-18)22-15(19)17-23-16(24-27(11)17)12-4-3-6-26(9-12)13-8-21-25(2)10-13;1-10-14(11-4-2-6-13(18)8-11)21-17(19)24-16(10)22-15(23-24)12-5-3-7-20-9-12;17-16(18)7-6-11(9-16)14-21-13-8-12(10-4-2-1-3-5-10)20-15(19)23(13)22-14;1-8-10(13-17-5-6-22-13)18-14(15)21-12(8)19-11(20-21)9-3-2-4-16-7-9/h2*4-7,12-13,25H,8H2,1-3H3,(H2,20,21);5,7-8,10,12H,3-4,6,9H2,1-2H3,(H2,19,22);2,4,6,8,12,20H,3,5,7,9H2,1H3,(H2,19,21);1-5,8,11H,6-7,9H2,(H2,19,20);5-6,9,16H,2-4,7H2,1H3,(H2,15,18)/t2*12-,13-;2*12-;11-;9-/m101101/s1.

What are the key properties of 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 2003.25 g/mol, XLogP of 13.88, 15 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,2S)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1R,2R)-2-[8-amino-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]cyclopropyl]propan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-methyl-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;8-methyl-7-(1,3-oxazol-2-yl)-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 163893004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).