2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine

C116H129N21O3 — CID 161223460

About 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine

2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 161223460) has the molecular formula C116H129N21O3 and a molecular weight of 1865.45 g/mol. Its IUPAC name is 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 161223460
• Molecular Formula: C116H129N21O3
• Molecular Weight: 1865.45 g/mol
• Exact Mass: 1864.06
• IUPAC Name: 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: C.C=C(Cc1nc2cccc(-c3ccc(C(C)N(C)C)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NCCCN)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NCCN)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OC)cc3)n2n1)c1ccc(OCCN2CCCC2)cc1.C=C(Cc1nc2cccc(-c3ccc(Oc4ccccc4)cc3)n2n1)C1CC1
• InChI: InChI=1S/C28H30N4O2.C24H21N3O.C22H26N4.C21H25N5.C20H23N5.CH4/c1-21(22-8-14-25(15-9-22)34-19-18-31-16-3-4-17-31)20-27-29-28-7-5-6-26(32(28)30-27)23-10-12-24(33-2)13-11-23;1-17(18-10-11-18)16-23-25-24-9-5-8-22(27(24)26-23)19-12-14-21(15-13-19)28-20-6-3-2-4-7-20;1-15(17-8-9-17)14-21-23-22-7-5-6-20(26(22)24-21)19-12-10-18(11-13-19)16(2)25(3)4;1-15(16-6-7-16)14-20-24-21-5-2-4-19(26(21)25-20)17-8-10-18(11-9-17)23-13-3-12-22;1-14(15-5-6-15)13-19-23-20-4-2-3-18(25(20)24-19)16-7-9-17(10-8-16)22-12-11-21;/h5-15H,1,3-4,16-20H2,2H3;2-9,12-15,18H,1,10-11,16H2;5-7,10-13,16-17H,1,8-9,14H2,2-4H3;2,4-5,8-11,16,23H,1,3,6-7,12-14,22H2;2-4,7-10,15,22H,1,5-6,11-13,21H2;1H4
• InChIKey: UXUXSDGXDHYETE-UHFFFAOYSA-N
• XLogP: 22.94
• TPSA: 261.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1865.45
LogP ≤ 5	22.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 161223460) is 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine is C.C=C(Cc1nc2cccc(-c3ccc(C(C)N(C)C)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NCCCN)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NCCN)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OC)cc3)n2n1)c1ccc(OCCN2CCCC2)cc1.C=C(Cc1nc2cccc(-c3ccc(Oc4ccccc4)cc3)n2n1)C1CC1.

What is the InChIKey of 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is UXUXSDGXDHYETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2.C24H21N3O.C22H26N4.C21H25N5.C20H23N5.CH4/c1-21(22-8-14-25(15-9-22)34-19-18-31-16-3-4-17-31)20-27-29-28-7-5-6-26(32(28)30-27)23-10-12-24(33-2)13-11-23;1-17(18-10-11-18)16-23-25-24-9-5-8-22(27(24)26-23)19-12-14-21(15-13-19)28-20-6-3-2-4-7-20;1-15(17-8-9-17)14-21-23-22-7-5-6-20(26(22)24-21)19-12-10-18(11-13-19)16(2)25(3)4;1-15(16-6-7-16)14-20-24-21-5-2-4-19(26(21)25-20)17-8-10-18(11-9-17)23-13-3-12-22;1-14(15-5-6-15)13-19-23-20-4-2-3-18(25(20)24-19)16-7-9-17(10-8-16)22-12-11-21;/h5-15H,1,3-4,16-20H2,2H3;2-9,12-15,18H,1,10-11,16H2;5-7,10-13,16-17H,1,8-9,14H2,2-4H3;2,4-5,8-11,16,23H,1,3,6-7,12-14,22H2;2-4,7-10,15,22H,1,5-6,11-13,21H2;1H4.

What are the key properties of 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine?

2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1865.45 g/mol, XLogP of 22.94, 36 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopropylprop-2-enyl)-5-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;1-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N,N-dimethylethanamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethane-1,2-diamine;N'-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]propane-1,3-diamine;methane;5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 161223460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).