8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde

C51H69F4N11O8 — CID 161151275

About 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde

8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde (PubChem CID 161151275) has the molecular formula C51H69F4N11O8 and a molecular weight of 1042.19 g/mol. Its IUPAC name is 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde
• PubChem CID: 161151275
• Molecular Formula: C51H69F4N11O8
• Molecular Weight: 1042.19 g/mol
• Exact Mass: 1041.54
• IUPAC Name: 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde
• SMILES: C.C1=C(c2cnc(CCc3ccco3)n3cnnc23)CCCC1.O=C(CN1CCOCC1)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.O=C(O)CN1CCOCC1.O=CC(F)(F)F.[2H]CC.[2H]CF
• InChI: InChI=1S/C22H26N6O3.C17H18N4O.C6H11NO3.C2HF3O.C2H6.CH3F.CH4/c29-21(15-26-9-12-30-13-10-26)27-7-5-17(6-8-27)19-14-23-20(28-16-24-25-22(19)28)4-3-18-2-1-11-31-18;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;8-6(9)5-7-1-3-10-4-2-7;3-2(4,5)1-6;2*1-2;/h1-2,5,11,14,16H,3-4,6-10,12-13,15H2;4-5,7,10-12H,1-3,6,8-9H2;1-5H2,(H,8,9);1H;1-2H3;1H3;1H4/i;;;;2*1D
• InChIKey: UOSBQLYCFZZEBD-WHACKLGWSA-N
• XLogP: 7.31
• TPSA: 212.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1042.19
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde (CID 161151275) is 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde is C.C1=C(c2cnc(CCc3ccco3)n3cnnc23)CCCC1.O=C(CN1CCOCC1)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.O=C(O)CN1CCOCC1.O=CC(F)(F)F.[2H]CC.[2H]CF.

What is the InChIKey of 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde?

The InChIKey is UOSBQLYCFZZEBD-WHACKLGWSA-N. The full InChI is InChI=1S/C22H26N6O3.C17H18N4O.C6H11NO3.C2HF3O.C2H6.CH3F.CH4/c29-21(15-26-9-12-30-13-10-26)27-7-5-17(6-8-27)19-14-23-20(28-16-24-25-22(19)28)4-3-18-2-1-11-31-18;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;8-6(9)5-7-1-3-10-4-2-7;3-2(4,5)1-6;2*1-2;/h1-2,5,11,14,16H,3-4,6-10,12-13,15H2;4-5,7,10-12H,1-3,6,8-9H2;1-5H2,(H,8,9);1H;1-2H3;1H3;1H4/i;;;;2*1D;.

What are the key properties of 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde?

8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde has a molecular weight of 1042.19 g/mol, XLogP of 7.31, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;deuterioethane;deuterio(fluoro)methane;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone;methane;2-morpholin-4-ylacetic acid;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 161151275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).