6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate

C121H183Cl2N21O33 — CID 159690941

About 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate

6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate (PubChem CID 159690941) has the molecular formula C121H183Cl2N21O33 and a molecular weight of 2530.81 g/mol. Its IUPAC name is 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate.

Molecular Properties

• Compound Name: 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate
• PubChem CID: 159690941
• Molecular Formula: C121H183Cl2N21O33
• Molecular Weight: 2530.81 g/mol
• Exact Mass: 2528.27
• IUPAC Name: 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate
• SMILES: CCC1OC(N2CN(C(=O)OCc3ccccc3)C(=NC(=O)OCc3ccccc3)NC2=O)CC1C.CCC1OC(N2CN=C(N)NC2=O)CC1C.CCCCCCCCCOC(=O)Cl.CCCCCCCCCOC(=O)N1CN(C2CC(O)C(CO)O2)C(=O)NC1=NC(=O)OCc1ccccc1.CCN(CC)CC.CO.O=C(Cl)OCc1ccccc1.O=C(NC1=NCN(C2CC(O)C(CO)O2)C(=O)N1)OCc1ccccc1.[H]/N=C1\NC(=O)N(C2CC(O)C(CO)O2)CN1C(=O)OCCCCCCCCC
• InChI: InChI=1S/C26H38N4O8.C26H30N4O6.C18H32N4O6.C16H20N4O6.C10H19ClO2.C10H18N4O2.C8H7ClO2.C6H15N.CH4O/c1-2-3-4-5-6-7-11-14-36-26(35)30-18-29(22-15-20(32)21(16-31)38-22)24(33)27-23(30)28-25(34)37-17-19-12-9-8-10-13-19;1-3-21-18(2)14-22(36-21)29-17-30(26(33)35-16-20-12-8-5-9-13-20)23(27-24(29)31)28-25(32)34-15-19-10-6-4-7-11-19;1-2-3-4-5-6-7-8-9-27-18(26)22-12-21(17(25)20-16(22)19)15-10-13(24)14(11-23)28-15;21-7-12-11(22)6-13(26-12)20-9-17-14(18-15(20)23)19-16(24)25-8-10-4-2-1-3-5-10;1-2-3-4-5-6-7-8-9-13-10(11)12;1-3-7-6(2)4-8(16-7)14-5-12-9(11)13-10(14)15;9-8(10)11-6-7-4-2-1-3-5-7;1-4-7(5-2)6-3;1-2/h8-10,12-13,20-22,31-32H,2-7,11,14-18H2,1H3,(H,27,28,33,34);4-13,18,21-22H,3,14-17H2,1-2H3,(H,27,28,31,32);13-15,23-24H,2-12H2,1H3,(H2,19,20,25);1-5,11-13,21-22H,6-9H2,(H2,17,18,19,23,24);2-9H2,1H3;6-8H,3-5H2,1-2H3,(H3,11,12,13,15);1-5H,6H2;4-6H2,1-3H3;2H,1H3
• InChIKey: MWKBITGAGHPKIC-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 684.16 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 38
• Rotatable Bonds: 47
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2530.81
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate?

The IUPAC name of 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate (CID 159690941) is 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate.

What is the SMILES notation for 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate?

The canonical SMILES for 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate is CCC1OC(N2CN(C(=O)OCc3ccccc3)C(=NC(=O)OCc3ccccc3)NC2=O)CC1C.CCC1OC(N2CN=C(N)NC2=O)CC1C.CCCCCCCCCOC(=O)Cl.CCCCCCCCCOC(=O)N1CN(C2CC(O)C(CO)O2)C(=O)NC1=NC(=O)OCc1ccccc1.CCN(CC)CC.CO.O=C(Cl)OCc1ccccc1.O=C(NC1=NCN(C2CC(O)C(CO)O2)C(=O)N1)OCc1ccccc1.[H]/N=C1\NC(=O)N(C2CC(O)C(CO)O2)CN1C(=O)OCCCCCCCCC.

What is the InChIKey of 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate?

The InChIKey is MWKBITGAGHPKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O8.C26H30N4O6.C18H32N4O6.C16H20N4O6.C10H19ClO2.C10H18N4O2.C8H7ClO2.C6H15N.CH4O/c1-2-3-4-5-6-7-11-14-36-26(35)30-18-29(22-15-20(32)21(16-31)38-22)24(33)27-23(30)28-25(34)37-17-19-12-9-8-10-13-19;1-3-21-18(2)14-22(36-21)29-17-30(26(33)35-16-20-12-8-5-9-13-20)23(27-24(29)31)28-25(32)34-15-19-10-6-4-7-11-19;1-2-3-4-5-6-7-8-9-27-18(26)22-12-21(17(25)20-16(22)19)15-10-13(24)14(11-23)28-15;21-7-12-11(22)6-13(26-12)20-9-17-14(18-15(20)23)19-16(24)25-8-10-4-2-1-3-5-10;1-2-3-4-5-6-7-8-9-13-10(11)12;1-3-7-6(2)4-8(16-7)14-5-12-9(11)13-10(14)15;9-8(10)11-6-7-4-2-1-3-5-7;1-4-7(5-2)6-3;1-2/h8-10,12-13,20-22,31-32H,2-7,11,14-18H2,1H3,(H,27,28,33,34);4-13,18,21-22H,3,14-17H2,1-2H3,(H,27,28,31,32);13-15,23-24H,2-12H2,1H3,(H2,19,20,25);1-5,11-13,21-22H,6-9H2,(H2,17,18,19,23,24);2-9H2,1H3;6-8H,3-5H2,1-2H3,(H3,11,12,13,15);1-5H,6H2;4-6H2,1-3H3;2H,1H3.

What are the key properties of 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate?

6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate has a molecular weight of 2530.81 g/mol, XLogP of 17.14, 47 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-(5-ethyl-4-methyloxolan-2-yl)-1,4-dihydro-1,3,5-triazin-2-one;benzyl carbonochloridate;benzyl 5-(5-ethyl-4-methyloxolan-2-yl)-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate;benzyl N-[5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate;N,N-diethylethanamine;methanol;nonyl carbonochloridate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-4-oxo-1,3,5-triazinane-1-carboxylate;nonyl 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-phenylmethoxycarbonylimino-1,3,5-triazinane-1-carboxylate is sourced from PubChem (CID 159690941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).