3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C72H72F2N30O2 — CID 158658980

About 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 158658980) has the molecular formula C72H72F2N30O2 and a molecular weight of 1427.57 g/mol. Its IUPAC name is 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• PubChem CID: 158658980
• Molecular Formula: C72H72F2N30O2
• Molecular Weight: 1427.57 g/mol
• Exact Mass: 1426.64
• IUPAC Name: 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• SMILES: CC(C)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.CCc1ccccc1Nc1nc(N)n(-c2ccccn2)n1.COc1c(F)cccc1Nc1nc(N)n(-c2ccccn2)n1.COc1ccccc1Nc1nc(N)n(-c2ccccn2)n1.Nc1nc(Nc2ccccc2F)nn1-c1ccccn1
• InChI: InChI=1S/C16H18N6.C15H16N6.C14H13FN6O.C14H14N6O.C13H11FN6/c1-11(2)12-6-8-13(9-7-12)19-16-20-15(17)22(21-16)14-5-3-4-10-18-14;1-2-11-7-3-4-8-12(11)18-15-19-14(16)21(20-15)13-9-5-6-10-17-13;1-22-12-9(15)5-4-6-10(12)18-14-19-13(16)21(20-14)11-7-2-3-8-17-11;1-21-11-7-3-2-6-10(11)17-14-18-13(15)20(19-14)12-8-4-5-9-16-12;14-9-5-1-2-6-10(9)17-13-18-12(15)20(19-13)11-7-3-4-8-16-11/h3-11H,1-2H3,(H3,17,19,20,21);3-10H,2H2,1H3,(H3,16,18,19,20);2-8H,1H3,(H3,16,18,19,20);2-9H,1H3,(H3,15,17,18,19);1-8H,(H3,15,17,18,19)
• InChIKey: ICMXQGGBKDTISN-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 426.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1427.57
LogP ≤ 5	11.92
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The IUPAC name of 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 158658980) is 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is CC(C)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.CCc1ccccc1Nc1nc(N)n(-c2ccccn2)n1.COc1c(F)cccc1Nc1nc(N)n(-c2ccccn2)n1.COc1ccccc1Nc1nc(N)n(-c2ccccn2)n1.Nc1nc(Nc2ccccc2F)nn1-c1ccccn1.

What is the InChIKey of 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The InChIKey is ICMXQGGBKDTISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6.C15H16N6.C14H13FN6O.C14H14N6O.C13H11FN6/c1-11(2)12-6-8-13(9-7-12)19-16-20-15(17)22(21-16)14-5-3-4-10-18-14;1-2-11-7-3-4-8-12(11)18-15-19-14(16)21(20-15)13-9-5-6-10-17-13;1-22-12-9(15)5-4-6-10(12)18-14-19-13(16)21(20-14)11-7-2-3-8-17-11;1-21-11-7-3-2-6-10(11)17-14-18-13(15)20(19-14)12-8-4-5-9-16-12;14-9-5-1-2-6-10(9)17-13-18-12(15)20(19-13)11-7-3-4-8-16-11/h3-11H,1-2H3,(H3,17,19,20,21);3-10H,2H2,1H3,(H3,16,18,19,20);2-8H,1H3,(H3,16,18,19,20);2-9H,1H3,(H3,15,17,18,19);1-8H,(H3,15,17,18,19).

What are the key properties of 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 1427.57 g/mol, XLogP of 11.92, 19 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(2-ethylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-fluoro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-fluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 158658980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).