3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride

C79H82Cl5N13O3 — CID 158868585

About 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride

3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride (PubChem CID 158868585) has the molecular formula C79H82Cl5N13O3 and a molecular weight of 1438.88 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride.

Molecular Properties

• Compound Name: 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride
• PubChem CID: 158868585
• Molecular Formula: C79H82Cl5N13O3
• Molecular Weight: 1438.88 g/mol
• Exact Mass: 1435.51
• IUPAC Name: 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride
• SMILES: C.C.C=C(C)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.CC(C)(c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12)[n+]1ccccc1.CC(O)(CO)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.[Cl-]
• InChI: InChI=1S/C23H22ClN4.C18H18ClN3O2.C18H18ClN3O.C18H16ClN3.2CH4.ClH/c1-22(2,27-14-4-3-5-15-27)19-7-6-16-28-20(19)25-26-21(28)23(12-13-23)17-8-10-18(24)11-9-17;1-17(24,11-23)14-3-2-10-22-15(14)20-21-16(22)18(8-9-18)12-4-6-13(19)7-5-12;1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12;1-12(2)15-4-3-11-22-16(15)20-21-17(22)18(9-10-18)13-5-7-14(19)8-6-13;;;/h3-11,14-16H,12-13H2,1-2H3;2-7,10,23-24H,8-9,11H2,1H3;3-8,11,23H,9-10H2,1-2H3;3-8,11H,1,9-10H2,2H3;2*1H4;1H/q+1;;;;;;/p-1
• InChIKey: YCSKZXYIFZKSNM-UHFFFAOYSA-M
• XLogP: 13.66
• TPSA: 185.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1438.88
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride?

The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride (CID 158868585) is 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride.

What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride?

The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride is C.C.C=C(C)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.CC(C)(c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12)[n+]1ccccc1.CC(O)(CO)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.[Cl-].

What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride?

The InChIKey is YCSKZXYIFZKSNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H22ClN4.C18H18ClN3O2.C18H18ClN3O.C18H16ClN3.2CH4.ClH/c1-22(2,27-14-4-3-5-15-27)19-7-6-16-28-20(19)25-26-21(28)23(12-13-23)17-8-10-18(24)11-9-17;1-17(24,11-23)14-3-2-10-22-15(14)20-21-16(22)18(8-9-18)12-4-6-13(19)7-5-12;1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12;1-12(2)15-4-3-11-22-16(15)20-21-17(22)18(9-10-18)13-5-7-14(19)8-6-13;;;/h3-11,14-16H,12-13H2,1-2H3;2-7,10,23-24H,8-9,11H2,1H3;3-8,11,23H,9-10H2,1-2H3;3-8,11H,1,9-10H2,2H3;2*1H4;1H/q+1;;;;;;/p-1.

What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride?

3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride has a molecular weight of 1438.88 g/mol, XLogP of 13.66, 14 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(4-chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride is sourced from PubChem (CID 158868585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).