bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine

C126H130FN31O7 — CID 157189112

About bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine

bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine (PubChem CID 157189112) has the molecular formula C126H130FN31O7 and a molecular weight of 2209.63 g/mol. Its IUPAC name is bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine.

Molecular Properties

• Compound Name: bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine
• PubChem CID: 157189112
• Molecular Formula: C126H130FN31O7
• Molecular Weight: 2209.63 g/mol
• Exact Mass: 2208.08
• IUPAC Name: bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine
• SMILES: C1=C(c2cnc(CCc3ccco3)n3cnnc23)CCCC1.C1=C(c2cnc(CCc3ccco3)n3cnnc23)CCCC1.C1=C(c2cnc(CCc3ccco3)n3cnnc23)CCNC1.C1=C(c2cnc(CCc3ccco3)n3cnnc23)c2ccccc2CC1.CC1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.Fc1ccc2c(c1CCc1ncc(C3=CCNCC3)c3nncn13)CCO2.NC1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1
• InChI: InChI=1S/C21H18N4O.C20H20FN5O.C18H20N4O.C17H19N5O.2C17H18N4O.C16H17N5O/c1-2-8-17-15(5-1)6-3-9-18(17)19-13-22-20(25-14-23-24-21(19)25)11-10-16-7-4-12-26-16;21-17-2-3-18-15(7-10-27-18)14(17)1-4-19-23-11-16(13-5-8-22-9-6-13)20-25-24-12-26(19)20;1-13-4-6-14(7-5-13)16-11-19-17(22-12-20-21-18(16)22)9-8-15-3-2-10-23-15;18-13-5-3-12(4-6-13)15-10-19-16(22-11-20-21-17(15)22)8-7-14-2-1-9-23-14;2*1-2-5-13(6-3-1)15-11-18-16(21-12-19-20-17(15)21)9-8-14-7-4-10-22-14;1-2-13(22-9-1)3-4-15-18-10-14(12-5-7-17-8-6-12)16-20-19-11-21(15)16/h1-2,4-5,7-9,12-14H,3,6,10-11H2;2-3,5,11-12,22H,1,4,6-10H2;2-3,6,10-13H,4-5,7-9H2,1H3;1-3,9-11,13H,4-8,18H2;2*4-5,7,10-12H,1-3,6,8-9H2;1-2,5,9-11,17H,3-4,6-8H2
• InChIKey: APMFFNFCATYHCY-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 439.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2209.63
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine?

The IUPAC name of bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine (CID 157189112) is bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine.

What is the SMILES notation for bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine?

The canonical SMILES for bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine is C1=C(c2cnc(CCc3ccco3)n3cnnc23)CCCC1.C1=C(c2cnc(CCc3ccco3)n3cnnc23)CCCC1.C1=C(c2cnc(CCc3ccco3)n3cnnc23)CCNC1.C1=C(c2cnc(CCc3ccco3)n3cnnc23)c2ccccc2CC1.CC1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.Fc1ccc2c(c1CCc1ncc(C3=CCNCC3)c3nncn13)CCO2.NC1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.

What is the InChIKey of bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine?

The InChIKey is APMFFNFCATYHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O.C20H20FN5O.C18H20N4O.C17H19N5O.2C17H18N4O.C16H17N5O/c1-2-8-17-15(5-1)6-3-9-18(17)19-13-22-20(25-14-23-24-21(19)25)11-10-16-7-4-12-26-16;21-17-2-3-18-15(7-10-27-18)14(17)1-4-19-23-11-16(13-5-8-22-9-6-13)20-25-24-12-26(19)20;1-13-4-6-14(7-5-13)16-11-19-17(22-12-20-21-18(16)22)9-8-15-3-2-10-23-15;18-13-5-3-12(4-6-13)15-10-19-16(22-11-20-21-17(15)22)8-7-14-2-1-9-23-14;2*1-2-5-13(6-3-1)15-11-18-16(21-12-19-20-17(15)21)9-8-14-7-4-10-22-14;1-2-13(22-9-1)3-4-15-18-10-14(12-5-7-17-8-6-12)16-20-19-11-21(15)16/h1-2,4-5,7-9,12-14H,3,6,10-11H2;2-3,5,11-12,22H,1,4,6-10H2;2-3,6,10-13H,4-5,7-9H2,1H3;1-3,9-11,13H,4-8,18H2;2*4-5,7,10-12H,1-3,6,8-9H2;1-2,5,9-11,17H,3-4,6-8H2.

What are the key properties of bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine?

bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine has a molecular weight of 2209.63 g/mol, XLogP of 21.14, 28 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine);8-(3,4-dihydronaphthalen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(4-methylcyclohexen-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]cyclohex-3-en-1-amine is sourced from PubChem (CID 157189112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).