2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide

C186H216N74O12 — CID 159179388

IUPAC2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide
SMILESCOCC(C)Nc1nc(C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1ccc(Nc2nc(C)nc(Nc3cc(CC(=O)Nc4ccccc4)[nH]n3)n2)cc1.Cc1cccc(Nc2nc(C)nc(Nc3cc(CC(=O)Nc4ccccc4)[nH]n3)n2)c1.Cc1nc(NCCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(Nc2ccccc2C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCN(C)C)n1.Cc1nc(Nc2ccccc2)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1
InChIInChI=1S/3C22H22N8O.C21H29N9O.C21H20N8O.C20H27N9O.C20H26N8O2.2C19H24N8O2/c1-14-8-6-7-11-18(14)26-21-23-15(2)24-22(28-21)27-19-12-17(29-30-19)13-20(31)25-16-9-4-3-5-10-16;1-14-7-6-10-17(11-14)26-21-23-15(2)24-22(28-21)27-19-12-18(29-30-19)13-20(31)25-16-8-4-3-5-9-16;1-14-8-10-17(11-9-14)26-21-23-15(2)24-22(28-21)27-19-12-18(29-30-19)13-20(31)25-16-6-4-3-5-7-16;1-15-22-20(26-21(23-15)30(4)12-8-11-29(2)3)25-18-13-17(27-28-18)14-19(31)24-16-9-6-5-7-10-16;1-14-22-20(25-16-10-6-3-7-11-16)27-21(23-14)26-18-12-17(28-29-18)13-19(30)24-15-8-4-2-5-9-15;1-14-22-19(21-10-7-11-29(2)3)26-20(23-14)25-17-12-16(27-28-17)13-18(30)24-15-8-5-4-6-9-15;1-14-21-19(25-20(22-14)30-11-7-10-28(2)3)24-17-12-16(26-27-17)13-18(29)23-15-8-5-4-6-9-15;1-12(11-29-3)20-18-21-13(2)22-19(25-18)24-16-9-15(26-27-16)10-17(28)23-14-7-5-4-6-8-14;1-13-20-18(24-19(21-13)29-10-9-27(2)3)23-16-11-15(25-26-16)12-17(28)22-14-7-5-4-6-8-14/h3*3-12H,13H2,1-2H3,(H,25,31)(H3,23,24,26,27,28,29,30);5-7,9-10,13H,8,11-12,14H2,1-4H3,(H,24,31)(H2,22,23,25,26,27,28);2-12H,13H2,1H3,(H,24,30)(H3,22,23,25,26,27,28,29);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,24,30)(H3,21,22,23,25,26,27,28);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,23,29)(H2,21,22,24,25,26,27);4-9,12H,10-11H2,1-3H3,(H,23,28)(H3,20,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,22,28)(H2,20,21,23,24,25,26)
InChIKeyKMRRMNGNOROBKU-UHFFFAOYSA-N
MW3680.28 g/mol
LogP25.82
Rot. Bonds76

About 2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide

2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide (PubChem CID 159179388) has the molecular formula C186H216N74O12 and a molecular weight of 3680.28 g/mol. Its IUPAC name is 2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide
PubChem CID159179388
Molecular FormulaC186H216N74O12
Molecular Weight3680.28 g/mol
Exact Mass3677.86
IUPAC Name2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide
SMILESCOCC(C)Nc1nc(C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1ccc(Nc2nc(C)nc(Nc3cc(CC(=O)Nc4ccccc4)[nH]n3)n2)cc1.Cc1cccc(Nc2nc(C)nc(Nc3cc(CC(=O)Nc4ccccc4)[nH]n3)n2)c1.Cc1nc(NCCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(Nc2ccccc2C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCN(C)C)n1.Cc1nc(Nc2ccccc2)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1
InChIInChI=1S/3C22H22N8O.C21H29N9O.C21H20N8O.C20H27N9O.C20H26N8O2.2C19H24N8O2/c1-14-8-6-7-11-18(14)26-21-23-15(2)24-22(28-21)27-19-12-17(29-30-19)13-20(31)25-16-9-4-3-5-10-16;1-14-7-6-10-17(11-14)26-21-23-15(2)24-22(28-21)27-19-12-18(29-30-19)13-20(31)25-16-8-4-3-5-9-16;1-14-8-10-17(11-9-14)26-21-23-15(2)24-22(28-21)27-19-12-18(29-30-19)13-20(31)25-16-6-4-3-5-7-16;1-15-22-20(26-21(23-15)30(4)12-8-11-29(2)3)25-18-13-17(27-28-18)14-19(31)24-16-9-6-5-7-10-16;1-14-22-20(25-16-10-6-3-7-11-16)27-21(23-14)26-18-12-17(28-29-18)13-19(30)24-15-8-4-2-5-9-15;1-14-22-19(21-10-7-11-29(2)3)26-20(23-14)25-17-12-16(27-28-17)13-18(30)24-15-8-5-4-6-9-15;1-14-21-19(25-20(22-14)30-11-7-10-28(2)3)24-17-12-16(26-27-17)13-18(29)23-15-8-5-4-6-9-15;1-12(11-29-3)20-18-21-13(2)22-19(25-18)24-16-9-15(26-27-16)10-17(28)23-14-7-5-4-6-8-14;1-13-20-18(24-19(21-13)29-10-9-27(2)3)23-16-11-15(25-26-16)12-17(28)22-14-7-5-4-6-8-14/h3*3-12H,13H2,1-2H3,(H,25,31)(H3,23,24,26,27,28,29,30);5-7,9-10,13H,8,11-12,14H2,1-4H3,(H,24,31)(H2,22,23,25,26,27,28);2-12H,13H2,1H3,(H,24,30)(H3,22,23,25,26,27,28,29);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,24,30)(H3,21,22,23,25,26,27,28);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,23,29)(H2,21,22,24,25,26,27);4-9,12H,10-11H2,1-3H3,(H,23,28)(H3,20,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,22,28)(H2,20,21,23,24,25,26)
InChIKeyKMRRMNGNOROBKU-UHFFFAOYSA-N
XLogP25.82
TPSA1092.39 Ų
H-Bond Donors33
H-Bond Acceptors68
Rotatable Bonds76
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003680.28
LogP ≤ 525.82
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

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

Analyze 2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide (CID 159179388) is 2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide is COCC(C)Nc1nc(C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1ccc(Nc2nc(C)nc(Nc3cc(CC(=O)Nc4ccccc4)[nH]n3)n2)cc1.Cc1cccc(Nc2nc(C)nc(Nc3cc(CC(=O)Nc4ccccc4)[nH]n3)n2)c1.Cc1nc(NCCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(Nc2ccccc2C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCN(C)C)n1.Cc1nc(Nc2ccccc2)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.
What is the InChIKey of 2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
The InChIKey is KMRRMNGNOROBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H22N8O.C21H29N9O.C21H20N8O.C20H27N9O.C20H26N8O2.2C19H24N8O2/c1-14-8-6-7-11-18(14)26-21-23-15(2)24-22(28-21)27-19-12-17(29-30-19)13-20(31)25-16-9-4-3-5-10-16;1-14-7-6-10-17(11-14)26-21-23-15(2)24-22(28-21)27-19-12-18(29-30-19)13-20(31)25-16-8-4-3-5-9-16;1-14-8-10-17(11-9-14)26-21-23-15(2)24-22(28-21)27-19-12-18(29-30-19)13-20(31)25-16-6-4-3-5-7-16;1-15-22-20(26-21(23-15)30(4)12-8-11-29(2)3)25-18-13-17(27-28-18)14-19(31)24-16-9-6-5-7-10-16;1-14-22-20(25-16-10-6-3-7-11-16)27-21(23-14)26-18-12-17(28-29-18)13-19(30)24-15-8-4-2-5-9-15;1-14-22-19(21-10-7-11-29(2)3)26-20(23-14)25-17-12-16(27-28-17)13-18(30)24-15-8-5-4-6-9-15;1-14-21-19(25-20(22-14)30-11-7-10-28(2)3)24-17-12-16(26-27-17)13-18(29)23-15-8-5-4-6-9-15;1-12(11-29-3)20-18-21-13(2)22-19(25-18)24-16-9-15(26-27-16)10-17(28)23-14-7-5-4-6-8-14;1-13-20-18(24-19(21-13)29-10-9-27(2)3)23-16-11-15(25-26-16)12-17(28)22-14-7-5-4-6-8-14/h3*3-12H,13H2,1-2H3,(H,25,31)(H3,23,24,26,27,28,29,30);5-7,9-10,13H,8,11-12,14H2,1-4H3,(H,24,31)(H2,22,23,25,26,27,28);2-12H,13H2,1H3,(H,24,30)(H3,22,23,25,26,27,28,29);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,24,30)(H3,21,22,23,25,26,27,28);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,23,29)(H2,21,22,24,25,26,27);4-9,12H,10-11H2,1-3H3,(H,23,28)(H3,20,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,22,28)(H2,20,21,23,24,25,26).
What are the key properties of 2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide has a molecular weight of 3680.28 g/mol, XLogP of 25.82, 76 rotatable bonds, 33 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide is sourced from PubChem (CID 159179388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).