3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine

C75H91F3N26O10 — CID 162145374

About 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine

3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 162145374) has the molecular formula C75H91F3N26O10 and a molecular weight of 1573.72 g/mol. Its IUPAC name is 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine
• PubChem CID: 162145374
• Molecular Formula: C75H91F3N26O10
• Molecular Weight: 1573.72 g/mol
• Exact Mass: 1572.74
• IUPAC Name: 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine
• SMILES: CCN(CC)CCCOc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1OC.COc1cc(Nc2nc(N)n(-c3ccccn3)n2)c(OC)c(OC)c1.COc1cc(Nc2nc(N)n(-c3ccccn3)n2)ccc1OCCCCN1CCOCC1.COc1cc(OC)c(C(F)(F)F)cc1Nc1nc(N)n(-c2ccccn2)n1
• InChI: InChI=1S/C22H29N7O3.C21H29N7O2.C16H15F3N6O2.C16H18N6O3/c1-30-19-16-17(25-22-26-21(23)29(27-22)20-6-2-3-9-24-20)7-8-18(19)32-13-5-4-10-28-11-14-31-15-12-28;1-4-27(5-2)13-8-14-30-17-11-10-16(15-18(17)29-3)24-21-25-20(22)28(26-21)19-9-6-7-12-23-19;1-26-11-8-12(27-2)10(7-9(11)16(17,18)19)22-15-23-14(20)25(24-15)13-5-3-4-6-21-13;1-23-10-8-11(14(25-3)12(9-10)24-2)19-16-20-15(17)22(21-16)13-6-4-5-7-18-13/h2-3,6-9,16H,4-5,10-15H2,1H3,(H3,23,25,26,27);6-7,9-12,15H,4-5,8,13-14H2,1-3H3,(H3,22,24,25,26);3-8H,1-2H3,(H3,20,22,23,24);4-9H,1-3H3,(H3,17,19,20,21)
• InChIKey: ZKMCFIOEJKNUMV-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 425.38 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1573.72
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

The IUPAC name of 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine (CID 162145374) is 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine is CCN(CC)CCCOc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1OC.COc1cc(Nc2nc(N)n(-c3ccccn3)n2)c(OC)c(OC)c1.COc1cc(Nc2nc(N)n(-c3ccccn3)n2)ccc1OCCCCN1CCOCC1.COc1cc(OC)c(C(F)(F)F)cc1Nc1nc(N)n(-c2ccccn2)n1.

What is the InChIKey of 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

The InChIKey is ZKMCFIOEJKNUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3.C21H29N7O2.C16H15F3N6O2.C16H18N6O3/c1-30-19-16-17(25-22-26-21(23)29(27-22)20-6-2-3-9-24-20)7-8-18(19)32-13-5-4-10-28-11-14-31-15-12-28;1-4-27(5-2)13-8-14-30-17-11-10-16(15-18(17)29-3)24-21-25-20(22)28(26-21)19-9-6-7-12-23-19;1-26-11-8-12(27-2)10(7-9(11)16(17,18)19)22-15-23-14(20)25(24-15)13-5-3-4-6-21-13;1-23-10-8-11(14(25-3)12(9-10)24-2)19-16-20-15(17)22(21-16)13-6-4-5-7-18-13/h2-3,6-9,16H,4-5,10-15H2,1H3,(H3,23,25,26,27);6-7,9-12,15H,4-5,8,13-14H2,1-3H3,(H3,22,24,25,26);3-8H,1-2H3,(H3,20,22,23,24);4-9H,1-3H3,(H3,17,19,20,21).

What are the key properties of 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 1573.72 g/mol, XLogP of 10.63, 32 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 162145374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).