2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine

C98H97F4N17O6 — CID 157077830

About 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine

2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 157077830) has the molecular formula C98H97F4N17O6 and a molecular weight of 1684.96 g/mol. Its IUPAC name is 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 157077830
• Molecular Formula: C98H97F4N17O6
• Molecular Weight: 1684.96 g/mol
• Exact Mass: 1683.77
• IUPAC Name: 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: C=C(Cc1nc2cccc(-c3ccc(N(C)C)c(C)c3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OC(F)(F)F)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OC)c(OC)c3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OCC)c(F)c3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc([N+](=O)[O-])cc3)n2n1)C1CC1
• InChI: InChI=1S/C21H24N4.C20H20FN3O.C20H21N3O2.C19H16F3N3O.C18H16N4O2/c1-14(16-8-9-16)13-20-22-21-7-5-6-19(25(21)23-20)17-10-11-18(24(3)4)15(2)12-17;1-3-25-18-10-9-15(12-16(18)21)17-5-4-6-20-22-19(23-24(17)20)11-13(2)14-7-8-14;1-13(14-7-8-14)11-19-21-20-6-4-5-16(23(20)22-19)15-9-10-17(24-2)18(12-15)25-3;1-12(13-5-6-13)11-17-23-18-4-2-3-16(25(18)24-17)14-7-9-15(10-8-14)26-19(20,21)22;1-12(13-5-6-13)11-17-19-18-4-2-3-16(21(18)20-17)14-7-9-15(10-8-14)22(23)24/h5-7,10-12,16H,1,8-9,13H2,2-4H3;4-6,9-10,12,14H,2-3,7-8,11H2,1H3;4-6,9-10,12,14H,1,7-8,11H2,2-3H3;2-4,7-10,13H,1,5-6,11H2;2-4,7-10,13H,1,5-6,11H2
• InChIKey: ADEJUEUMALMIAL-UHFFFAOYSA-N
• XLogP: 21.26
• TPSA: 234.25 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.96
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 157077830) is 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is C=C(Cc1nc2cccc(-c3ccc(N(C)C)c(C)c3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OC(F)(F)F)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OC)c(OC)c3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OCC)c(F)c3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc([N+](=O)[O-])cc3)n2n1)C1CC1.

What is the InChIKey of 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is ADEJUEUMALMIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4.C20H20FN3O.C20H21N3O2.C19H16F3N3O.C18H16N4O2/c1-14(16-8-9-16)13-20-22-21-7-5-6-19(25(21)23-20)17-10-11-18(24(3)4)15(2)12-17;1-3-25-18-10-9-15(12-16(18)21)17-5-4-6-20-22-19(23-24(17)20)11-13(2)14-7-8-14;1-13(14-7-8-14)11-19-21-20-6-4-5-16(23(20)22-19)15-9-10-17(24-2)18(12-15)25-3;1-12(13-5-6-13)11-17-23-18-4-2-3-16(25(18)24-17)14-7-9-15(10-8-14)26-19(20,21)22;1-12(13-5-6-13)11-17-19-18-4-2-3-16(21(18)20-17)14-7-9-15(10-8-14)22(23)24/h5-7,10-12,16H,1,8-9,13H2,2-4H3;4-6,9-10,12,14H,2-3,7-8,11H2,1H3;4-6,9-10,12,14H,1,7-8,11H2,2-3H3;2-4,7-10,13H,1,5-6,11H2;2-4,7-10,13H,1,5-6,11H2.

What are the key properties of 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?

2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1684.96 g/mol, XLogP of 21.26, 27 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopropylprop-2-enyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxy-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N,2-trimethylaniline;2-(2-cyclopropylprop-2-enyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 157077830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).