7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C94H119F3N38O12 — CID 167557206

About 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 167557206) has the molecular formula C94H119F3N38O12 and a molecular weight of 2033.25 g/mol. Its IUPAC name is 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

• Compound Name: 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
• PubChem CID: 167557206
• Molecular Formula: C94H119F3N38O12
• Molecular Weight: 2033.25 g/mol
• Exact Mass: 2032.00
• IUPAC Name: 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
• SMILES: CN(CCN1CCN(c2ccc(OCCOC(F)(F)F)cc2)CC1)c1cc2nc(-c3ncco3)nn2c(N)n1.COCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1.COCCOc1cnc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)nc1.[2H]C([2H])([2H])OCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1
• InChI: InChI=1S/C24H28F3N9O3.2C24H31N9O3.C22H29N11O3/c1-33(19-16-20-30-21(22-29-6-13-38-22)32-36(20)23(28)31-19)7-8-34-9-11-35(12-10-34)17-2-4-18(5-3-17)37-14-15-39-24(25,26)27;2*1-30(20-17-21-27-22(23-26-7-14-36-23)29-33(21)24(25)28-20)8-9-31-10-12-32(13-11-31)18-3-5-19(6-4-18)35-16-15-34-2;1-30(17-13-18-27-19(20-24-3-10-36-20)29-33(18)21(23)28-17)4-5-31-6-8-32(9-7-31)22-25-14-16(15-26-22)35-12-11-34-2/h2-6,13,16H,7-12,14-15H2,1H3,(H2,28,31);2*3-7,14,17H,8-13,15-16H2,1-2H3,(H2,25,28);3,10,13-15H,4-9,11-12H2,1-2H3,(H2,23,28)/i;2D3
• InChIKey: DDYGRHOBHMHRFR-KUHFQXLVSA-N
• XLogP: 6.26
• TPSA: 519.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 50
• Rotatable Bonds: 41
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2033.25
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

The IUPAC name of 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 167557206) is 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

What is the SMILES notation for 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

The canonical SMILES for 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is CN(CCN1CCN(c2ccc(OCCOC(F)(F)F)cc2)CC1)c1cc2nc(-c3ncco3)nn2c(N)n1.COCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1.COCCOc1cnc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)nc1.[2H]C([2H])([2H])OCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1.

What is the InChIKey of 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

The InChIKey is DDYGRHOBHMHRFR-KUHFQXLVSA-N. The full InChI is InChI=1S/C24H28F3N9O3.2C24H31N9O3.C22H29N11O3/c1-33(19-16-20-30-21(22-29-6-13-38-22)32-36(20)23(28)31-19)7-8-34-9-11-35(12-10-34)17-2-4-18(5-3-17)37-14-15-39-24(25,26)27;2*1-30(20-17-21-27-22(23-26-7-14-36-23)29-33(21)24(25)28-20)8-9-31-10-12-32(13-11-31)18-3-5-19(6-4-18)35-16-15-34-2;1-30(17-13-18-27-19(20-24-3-10-36-20)29-33(18)21(23)28-17)4-5-31-6-8-32(9-7-31)22-25-14-16(15-26-22)35-12-11-34-2/h2-6,13,16H,7-12,14-15H2,1H3,(H2,28,31);2*3-7,14,17H,8-13,15-16H2,1-2H3,(H2,25,28);3,10,13-15H,4-9,11-12H2,1-2H3,(H2,23,28)/i;2D3;;.

What are the key properties of 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 2033.25 g/mol, XLogP of 6.26, 41 rotatable bonds, 4 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[5-(2-methoxyethoxy)pyrimidin-2-yl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trideuteriomethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 167557206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).