2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

C118H103I2N29O3S11 — CID 161078982

About 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 161078982) has the molecular formula C118H103I2N29O3S11 and a molecular weight of 2581.87 g/mol. Its IUPAC name is 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
• PubChem CID: 161078982
• Molecular Formula: C118H103I2N29O3S11
• Molecular Weight: 2581.87 g/mol
• Exact Mass: 2579.38
• IUPAC Name: 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
• SMILES: C#CCSc1nnc(-c2ccccn2)n1Cc1cccs1.C=CCSc1nnc(-c2ccccn2)n1Cc1ccco1.Ic1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1.Ic1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1.c1ccc(-c2nnc(SCC3CC3)n2Cc2ccco2)nc1.c1ccc(-c2nnc(SCC3CC3)n2Cc2cccs2)nc1.c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)nc1
• InChI: InChI=1S/C19H15IN4OS.C19H15IN4S2.C18H15N5S2.C16H16N4OS.C16H16N4S2.C15H14N4OS.C15H12N4S2/c2*20-15-8-6-14(7-9-15)13-26-19-23-22-18(17-5-1-2-10-21-17)24(19)12-16-4-3-11-25-16;1-3-9-19-14(6-1)13-25-18-22-21-17(16-8-2-4-10-20-16)23(18)12-15-7-5-11-24-15;2*1-2-8-17-14(5-1)15-18-19-16(22-11-12-6-7-12)20(15)10-13-4-3-9-21-13;1-2-10-21-15-18-17-14(13-7-3-4-8-16-13)19(15)11-12-6-5-9-20-12;1-2-9-21-15-18-17-14(13-7-3-4-8-16-13)19(15)11-12-6-5-10-20-12/h2*1-11H,12-13H2;1-11H,12-13H2;2*1-5,8-9,12H,6-7,10-11H2;2-9H,1,10-11H2;1,3-8,10H,9,11H2
• InChIKey: UFQSDMZDOVXXPV-UHFFFAOYSA-N
• XLogP: 28.23
• TPSA: 357.51 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 41
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2581.87
LogP ≤ 5	28.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

The IUPAC name of 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine (CID 161078982) is 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.

What is the SMILES notation for 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

The canonical SMILES for 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine is C#CCSc1nnc(-c2ccccn2)n1Cc1cccs1.C=CCSc1nnc(-c2ccccn2)n1Cc1ccco1.Ic1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1.Ic1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1.c1ccc(-c2nnc(SCC3CC3)n2Cc2ccco2)nc1.c1ccc(-c2nnc(SCC3CC3)n2Cc2cccs2)nc1.c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)nc1.

What is the InChIKey of 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

The InChIKey is UFQSDMZDOVXXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN4OS.C19H15IN4S2.C18H15N5S2.C16H16N4OS.C16H16N4S2.C15H14N4OS.C15H12N4S2/c2*20-15-8-6-14(7-9-15)13-26-19-23-22-18(17-5-1-2-10-21-17)24(19)12-16-4-3-11-25-16;1-3-9-19-14(6-1)13-25-18-22-21-17(16-8-2-4-10-20-16)23(18)12-15-7-5-11-24-15;2*1-2-8-17-14(5-1)15-18-19-16(22-11-12-6-7-12)20(15)10-13-4-3-9-21-13;1-2-10-21-15-18-17-14(13-7-3-4-8-16-13)19(15)11-12-6-5-9-20-12;1-2-9-21-15-18-17-14(13-7-3-4-8-16-13)19(15)11-12-6-5-10-20-12/h2*1-11H,12-13H2;1-11H,12-13H2;2*1-5,8-9,12H,6-7,10-11H2;2-9H,1,10-11H2;1,3-8,10H,9,11H2.

What are the key properties of 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 2581.87 g/mol, XLogP of 28.23, 41 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(cyclopropylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclopropylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-iodophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-2-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 161078982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).