3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine

C154H241Cl5N68O28S — CID 176527061

IUPAC3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine
SMILESCC(C)(C)OC(=O)CCNc1nc(Cl)nc(Cl)n1.CC(C)(C)OC(=O)CCS.CCc1nc(CCCNc2nc(CCCNc3nc(CCCNc4nc(CCCNc5nc(CCCNc6nc(CCCN)nc(NCCC(=O)OC(C)(C)C)n6)nc(NCCC(=O)OC(C)(C)C)n5)nc(NCCC(=O)OC(C)(C)C)n4)nc(NCCC(=O)OC(C)(C)C)n3)nc(NCCC(=O)OC(C)(C)C)n2)nc(NCCC(=O)OC(C)(C)C)n1.Clc1nc(Cl)nc(Cl)n1.NCCCc1n/c(=N\CCCc2n/c(=N\CCCc3n/c(=N/CCCc4nc(NCCCc5nc(NCCCc6nc(N)nc(NCCC(=O)O)n6)nc(NCCC(=O)O)n5)nc(NCCC(=O)O)n4)nc(NCCC(=O)O)[nH]3)[nH]/c(=N\CCC(=O)O)[nH]2)[nH]/c(=N/CCC(=O)O)[nH]1
InChIInChI=1S/C80H132N30O12.C54H81N31O12.C10H14Cl2N4O2.C7H14O2S.C3Cl3N3/c1-20-51-93-52(95-64(94-51)87-45-33-58(111)117-75(2,3)4)28-22-40-82-66-98-54(102-71(107-66)89-47-35-60(113)119-77(8,9)10)30-24-42-84-68-100-56(104-73(109-68)91-49-37-62(115)121-79(14,15)16)32-26-44-86-69-101-57(105-74(110-69)92-50-38-63(116)122-80(17,18)19)31-25-43-85-67-99-55(103-72(108-67)90-48-36-61(114)120-78(11,12)13)29-23-41-83-65-96-53(27-21-39-81)97-70(106-65)88-46-34-59(112)118-76(5,6)7;55-19-1-7-32-70-45(81-50(71-32)63-26-14-38(88)89)58-21-3-9-34-73-47(83-52(77-34)65-28-16-40(92)93)60-23-5-11-36-75-49(85-54(79-36)67-30-18-42(96)97)61-24-6-12-35-74-48(84-53(78-35)66-29-17-41(94)95)59-22-4-10-33-72-46(82-51(76-33)64-27-15-39(90)91)57-20-2-8-31-68-43(56)80-44(69-31)62-25-13-37(86)87;1-10(2,3)18-6(17)4-5-13-9-15-7(11)14-8(12)16-9;1-7(2,3)9-6(8)4-5-10;4-1-7-2(5)9-3(6)8-1/h20-50,81H2,1-19H3,(H,87,93,94,95)(H2,82,89,98,102,107)(H2,83,88,96,97,106)(H2,84,91,100,104,109)(H2,85,90,99,103,108)(H2,86,92,101,105,110);1-30,55H2,(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H3,56,62,68,69,80)(H2,57,64,72,76,82)(H2,58,63,70,71,81)(H2,59,66,74,78,84)(H2,60,65,73,77,83)(H2,61,67,75,79,85);4-5H2,1-3H3,(H,13,14,15,16);10H,4-5H2,1-3H3;
InChIKeyVSQSXRBJLZHDCC-UHFFFAOYSA-N
MW3702.40 g/mol
LogP11.06
Rot. Bonds106

About 3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine

3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine (PubChem CID 176527061) has the molecular formula C154H241Cl5N68O28S and a molecular weight of 3702.40 g/mol. Its IUPAC name is 3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Name3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine
PubChem CID176527061
Molecular FormulaC154H241Cl5N68O28S
Molecular Weight3702.40 g/mol
Exact Mass3697.77
IUPAC Name3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine
SMILESCC(C)(C)OC(=O)CCNc1nc(Cl)nc(Cl)n1.CC(C)(C)OC(=O)CCS.CCc1nc(CCCNc2nc(CCCNc3nc(CCCNc4nc(CCCNc5nc(CCCNc6nc(CCCN)nc(NCCC(=O)OC(C)(C)C)n6)nc(NCCC(=O)OC(C)(C)C)n5)nc(NCCC(=O)OC(C)(C)C)n4)nc(NCCC(=O)OC(C)(C)C)n3)nc(NCCC(=O)OC(C)(C)C)n2)nc(NCCC(=O)OC(C)(C)C)n1.Clc1nc(Cl)nc(Cl)n1.NCCCc1n/c(=N\CCCc2n/c(=N\CCCc3n/c(=N/CCCc4nc(NCCCc5nc(NCCCc6nc(N)nc(NCCC(=O)O)n6)nc(NCCC(=O)O)n5)nc(NCCC(=O)O)n4)nc(NCCC(=O)O)[nH]3)[nH]/c(=N\CCC(=O)O)[nH]2)[nH]/c(=N/CCC(=O)O)[nH]1
InChIInChI=1S/C80H132N30O12.C54H81N31O12.C10H14Cl2N4O2.C7H14O2S.C3Cl3N3/c1-20-51-93-52(95-64(94-51)87-45-33-58(111)117-75(2,3)4)28-22-40-82-66-98-54(102-71(107-66)89-47-35-60(113)119-77(8,9)10)30-24-42-84-68-100-56(104-73(109-68)91-49-37-62(115)121-79(14,15)16)32-26-44-86-69-101-57(105-74(110-69)92-50-38-63(116)122-80(17,18)19)31-25-43-85-67-99-55(103-72(108-67)90-48-36-61(114)120-78(11,12)13)29-23-41-83-65-96-53(27-21-39-81)97-70(106-65)88-46-34-59(112)118-76(5,6)7;55-19-1-7-32-70-45(81-50(71-32)63-26-14-38(88)89)58-21-3-9-34-73-47(83-52(77-34)65-28-16-40(92)93)60-23-5-11-36-75-49(85-54(79-36)67-30-18-42(96)97)61-24-6-12-35-74-48(84-53(78-35)66-29-17-41(94)95)59-22-4-10-33-72-46(82-51(76-33)64-27-15-39(90)91)57-20-2-8-31-68-43(56)80-44(69-31)62-25-13-37(86)87;1-10(2,3)18-6(17)4-5-13-9-15-7(11)14-8(12)16-9;1-7(2,3)9-6(8)4-5-10;4-1-7-2(5)9-3(6)8-1/h20-50,81H2,1-19H3,(H,87,93,94,95)(H2,82,89,98,102,107)(H2,83,88,96,97,106)(H2,84,91,100,104,109)(H2,85,90,99,103,108)(H2,86,92,101,105,110);1-30,55H2,(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H3,56,62,68,69,80)(H2,57,64,72,76,82)(H2,58,63,70,71,81)(H2,59,66,74,78,84)(H2,60,65,73,77,83)(H2,61,67,75,79,85);4-5H2,1-3H3,(H,13,14,15,16);10H,4-5H2,1-3H3;
InChIKeyVSQSXRBJLZHDCC-UHFFFAOYSA-N
XLogP11.06
TPSA1346.48 Ų
H-Bond Donors33
H-Bond Acceptors86
Rotatable Bonds106
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003702.40
LogP ≤ 511.06
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1086

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[4-(2-aminoethylamino)-6-[3-[[4-(2-carboxyethylamino)-6-[3-(methylamino)propyl]-1,3,5-triazin-2-yl]amino]propyl]-1,3,5-triazin-2-yl]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid
CID 159076455
2-N-(2-aminoethyl)-6-[3-[[4-(2-aminoethylamino)-6-[3-[[4-(2-aminoethylamino)-6-[3-[[4-(2-aminoethylamino)-6-[3-[[4-(2-aminoethylamino)-6-[3-[[2-(2-aminoethylamino)-6-butyl-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1,3,5-triazin-2-yl]amino]propyl]-1,3,5-triazin-2-yl]amino]propyl]-1,3,5-triazin-2-yl]amino]propyl]-1,3,5-triazin-2-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;4-(3-aminopropyl)-6-ethylsulfanyl-N-[3-[4-ethylsulfanyl-6-[3-[4-ethylsulfanyl-6-[3-[4-ethylsulfanyl-6-[3-[4-ethylsulfanyl-6-[3-[4-ethylsulfanyl-6-(methylamino)-1,3,5-triazin-2-yl]propylamino]-1,3,5-triazin-2-yl]propylamino]-1,3,5-triazin-2-yl]propylamino]-1,3,5-triazin-2-yl]propylamino]-1,3,5-triazin-2-yl]propyl]-1,3,5-triazin-2-amine
CID 157270499
4-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]butanoic acid
CID 100915718
3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid
CID 25243680
tert-butyl N-[[3-(3-aminopropyl)-1H-1,2,4-triazol-5-yl]methyl]carbamate
CID 66486695
tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate
CID 20624439
3-[[4-[2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]ethylamino]-6-[2-[[4-[2-[[4-(methylamino)-6-(2-sulfanylethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]propanoic acid
CID 126546806
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylpropanedioic acid;3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoic acid;(4,6-dichloro-1,3,5-triazin-2-yl)urea
CID 159944503
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319
tert-butyl N-[3-(2-amino-6-chloro-7H-purin-3-ium-8-yl)propyl]carbamate
CID 123452127
ethyl 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanoate
CID 62858556
acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 177324913

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of 3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine (CID 176527061) is 3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for 3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for 3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine is CC(C)(C)OC(=O)CCNc1nc(Cl)nc(Cl)n1.CC(C)(C)OC(=O)CCS.CCc1nc(CCCNc2nc(CCCNc3nc(CCCNc4nc(CCCNc5nc(CCCNc6nc(CCCN)nc(NCCC(=O)OC(C)(C)C)n6)nc(NCCC(=O)OC(C)(C)C)n5)nc(NCCC(=O)OC(C)(C)C)n4)nc(NCCC(=O)OC(C)(C)C)n3)nc(NCCC(=O)OC(C)(C)C)n2)nc(NCCC(=O)OC(C)(C)C)n1.Clc1nc(Cl)nc(Cl)n1.NCCCc1n/c(=N\CCCc2n/c(=N\CCCc3n/c(=N/CCCc4nc(NCCCc5nc(NCCCc6nc(N)nc(NCCC(=O)O)n6)nc(NCCC(=O)O)n5)nc(NCCC(=O)O)n4)nc(NCCC(=O)O)[nH]3)[nH]/c(=N\CCC(=O)O)[nH]2)[nH]/c(=N/CCC(=O)O)[nH]1.
What is the InChIKey of 3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine?
The InChIKey is VSQSXRBJLZHDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H132N30O12.C54H81N31O12.C10H14Cl2N4O2.C7H14O2S.C3Cl3N3/c1-20-51-93-52(95-64(94-51)87-45-33-58(111)117-75(2,3)4)28-22-40-82-66-98-54(102-71(107-66)89-47-35-60(113)119-77(8,9)10)30-24-42-84-68-100-56(104-73(109-68)91-49-37-62(115)121-79(14,15)16)32-26-44-86-69-101-57(105-74(110-69)92-50-38-63(116)122-80(17,18)19)31-25-43-85-67-99-55(103-72(108-67)90-48-36-61(114)120-78(11,12)13)29-23-41-83-65-96-53(27-21-39-81)97-70(106-65)88-46-34-59(112)118-76(5,6)7;55-19-1-7-32-70-45(81-50(71-32)63-26-14-38(88)89)58-21-3-9-34-73-47(83-52(77-34)65-28-16-40(92)93)60-23-5-11-36-75-49(85-54(79-36)67-30-18-42(96)97)61-24-6-12-35-74-48(84-53(78-35)66-29-17-41(94)95)59-22-4-10-33-72-46(82-51(76-33)64-27-15-39(90)91)57-20-2-8-31-68-43(56)80-44(69-31)62-25-13-37(86)87;1-10(2,3)18-6(17)4-5-13-9-15-7(11)14-8(12)16-9;1-7(2,3)9-6(8)4-5-10;4-1-7-2(5)9-3(6)8-1/h20-50,81H2,1-19H3,(H,87,93,94,95)(H2,82,89,98,102,107)(H2,83,88,96,97,106)(H2,84,91,100,104,109)(H2,85,90,99,103,108)(H2,86,92,101,105,110);1-30,55H2,(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H3,56,62,68,69,80)(H2,57,64,72,76,82)(H2,58,63,70,71,81)(H2,59,66,74,78,84)(H2,60,65,73,77,83)(H2,61,67,75,79,85);4-5H2,1-3H3,(H,13,14,15,16);10H,4-5H2,1-3H3;.
What are the key properties of 3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine?
3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 3702.40 g/mol, XLogP of 11.06, 106 rotatable bonds, 33 hydrogen bond donors, and 86 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-[4-[3-[4-[3-[4-amino-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]propylimino]-6-[3-[[6-[3-[[6-(3-aminopropyl)-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-2-(2-carboxyethylimino)-1H-1,3,5-triazin-4-ylidene]amino]propyl]-1H-1,3,5-triazin-2-yl]amino]propanoic acid;tert-butyl 3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-[3-[[4-(3-aminopropyl)-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]amino]propyl]-6-ethyl-1,3,5-triazin-2-yl]amino]propanoate;tert-butyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanoate;tert-butyl 3-sulfanylpropanoate;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 176527061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).