2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole

C82H60F5N27S3 — CID 158933480

About 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole

2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 158933480) has the molecular formula C82H60F5N27S3 and a molecular weight of 1614.76 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
• PubChem CID: 158933480
• Molecular Formula: C82H60F5N27S3
• Molecular Weight: 1614.76 g/mol
• Exact Mass: 1613.46
• IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
• SMILES: Cc1nc(-c2ncccn2)nn1Cc1ccccc1F.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1ccccc1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1ncccn1
• InChI: InChI=1S/C19H14FN5.C17H12FN5S.2C16H11FN6S.C14H12FN5/c20-16-10-5-4-9-15(16)13-25-19(14-7-2-1-3-8-14)23-18(24-25)17-21-11-6-12-22-17;18-13-6-2-1-5-12(13)11-23-16(14-7-3-4-8-19-14)21-15(22-23)17-20-9-10-24-17;17-12-5-2-1-4-11(12)10-23-15(13-18-6-3-7-19-13)21-14(22-23)16-20-8-9-24-16;17-12-5-2-1-4-11(12)10-23-15(16-20-8-9-24-16)21-14(22-23)13-18-6-3-7-19-13;1-10-18-14(13-16-7-4-8-17-13)19-20(10)9-11-5-2-3-6-12(11)15/h1-12H,13H2;1-10H,11H2;2*1-9H,10H2;2-8H,9H2,1H3
• InChIKey: JJIYKFPTXFQGKV-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 308.23 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1614.76
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?

The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole (CID 158933480) is 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole.

What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?

The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole is Cc1nc(-c2ncccn2)nn1Cc1ccccc1F.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1ccccc1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1ncccn1.

What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?

The InChIKey is JJIYKFPTXFQGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5.C17H12FN5S.2C16H11FN6S.C14H12FN5/c20-16-10-5-4-9-15(16)13-25-19(14-7-2-1-3-8-14)23-18(24-25)17-21-11-6-12-22-17;18-13-6-2-1-5-12(13)11-23-16(14-7-3-4-8-19-14)21-15(22-23)17-20-9-10-24-17;17-12-5-2-1-4-11(12)10-23-15(13-18-6-3-7-19-13)21-14(22-23)16-20-8-9-24-16;17-12-5-2-1-4-11(12)10-23-15(16-20-8-9-24-16)21-14(22-23)13-18-6-3-7-19-13;1-10-18-14(13-16-7-4-8-17-13)19-20(10)9-11-5-2-3-6-12(11)15/h1-12H,13H2;1-10H,11H2;2*1-9H,10H2;2-8H,9H2,1H3.

What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?

2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 1614.76 g/mol, XLogP of 15.56, 19 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 158933480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).