2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C115H170N60O7 — CID 158152300

IUPAC2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)CCC2=CCC=C2)n1.CN(C)c1nc(N)nc(N(C)CCc2ccoc2)n1.CN(C)c1nc(NCCC2=CCC=C2)nc(N(C)C)n1.CN(C)c1nc(NCCc2ccoc2)nc(N(C)C)n1.CN(CCc1ccoc1)c1nc(N)nc(N)n1.CNc1nc(N)nc(N(C)CCc2ccoc2)n1.CNc1nc(N)nc(NCCc2ccoc2)n1.CNc1nc(NC)nc(NCCC2=CCC=C2)n1.CNc1nc(NC)nc(NCCc2ccoc2)n1.Nc1nc(N)nc(NCCc2ccoc2)n1
InChIInChI=1S/C14H22N6.C13H20N6O.C13H20N6.C12H18N6O.C12H18N6.2C11H16N6O.2C10H14N6O.C9H12N6O/c1-19(2)13-16-12(17-14(18-13)20(3)4)15-10-9-11-7-5-6-8-11;1-18(2)12-15-11(16-13(17-12)19(3)4)14-7-5-10-6-8-20-9-10;1-18(2)12-15-11(14)16-13(17-12)19(3)9-8-10-6-4-5-7-10;1-17(2)11-14-10(13)15-12(16-11)18(3)6-4-9-5-7-19-8-9;1-13-10-16-11(14-2)18-12(17-10)15-8-7-9-5-3-4-6-9;1-13-10-14-9(12)15-11(16-10)17(2)5-3-8-4-6-18-7-8;1-12-9-15-10(13-2)17-11(16-9)14-5-3-8-4-6-18-7-8;1-16(4-2-7-3-5-17-6-7)10-14-8(11)13-9(12)15-10;1-12-9-14-8(11)15-10(16-9)13-4-2-7-3-5-17-6-7;10-7-13-8(11)15-9(14-7)12-3-1-6-2-4-16-5-6/h5,7-8H,6,9-10H2,1-4H3,(H,15,16,17,18);6,8-9H,5,7H2,1-4H3,(H,14,15,16,17);4,6-7H,5,8-9H2,1-3H3,(H2,14,15,16,17);5,7-8H,4,6H2,1-3H3,(H2,13,14,15,16);3,5-6H,4,7-8H2,1-2H3,(H3,13,14,15,16,17,18);4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15,16);4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15,16,17);3,5-6H,2,4H2,1H3,(H4,11,12,13,14,15);3,5-6H,2,4H2,1H3,(H4,11,12,13,14,15,16);2,4-5H,1,3H2,(H5,10,11,12,13,14,15)
InChIKeyFVGKTLDCFVNZRX-UHFFFAOYSA-N
MW2505.04 g/mol
LogP9.92
Rot. Bonds52

About 2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine

2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 158152300) has the molecular formula C115H170N60O7 and a molecular weight of 2505.04 g/mol. Its IUPAC name is 2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID158152300
Molecular FormulaC115H170N60O7
Molecular Weight2505.04 g/mol
Exact Mass2503.48
IUPAC Name2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)CCC2=CCC=C2)n1.CN(C)c1nc(N)nc(N(C)CCc2ccoc2)n1.CN(C)c1nc(NCCC2=CCC=C2)nc(N(C)C)n1.CN(C)c1nc(NCCc2ccoc2)nc(N(C)C)n1.CN(CCc1ccoc1)c1nc(N)nc(N)n1.CNc1nc(N)nc(N(C)CCc2ccoc2)n1.CNc1nc(N)nc(NCCc2ccoc2)n1.CNc1nc(NC)nc(NCCC2=CCC=C2)n1.CNc1nc(NC)nc(NCCc2ccoc2)n1.Nc1nc(N)nc(NCCc2ccoc2)n1
InChIInChI=1S/C14H22N6.C13H20N6O.C13H20N6.C12H18N6O.C12H18N6.2C11H16N6O.2C10H14N6O.C9H12N6O/c1-19(2)13-16-12(17-14(18-13)20(3)4)15-10-9-11-7-5-6-8-11;1-18(2)12-15-11(16-13(17-12)19(3)4)14-7-5-10-6-8-20-9-10;1-18(2)12-15-11(14)16-13(17-12)19(3)9-8-10-6-4-5-7-10;1-17(2)11-14-10(13)15-12(16-11)18(3)6-4-9-5-7-19-8-9;1-13-10-16-11(14-2)18-12(17-10)15-8-7-9-5-3-4-6-9;1-13-10-14-9(12)15-11(16-10)17(2)5-3-8-4-6-18-7-8;1-12-9-15-10(13-2)17-11(16-9)14-5-3-8-4-6-18-7-8;1-16(4-2-7-3-5-17-6-7)10-14-8(11)13-9(12)15-10;1-12-9-14-8(11)15-10(16-9)13-4-2-7-3-5-17-6-7;10-7-13-8(11)15-9(14-7)12-3-1-6-2-4-16-5-6/h5,7-8H,6,9-10H2,1-4H3,(H,15,16,17,18);6,8-9H,5,7H2,1-4H3,(H,14,15,16,17);4,6-7H,5,8-9H2,1-3H3,(H2,14,15,16,17);5,7-8H,4,6H2,1-3H3,(H2,13,14,15,16);3,5-6H,4,7-8H2,1-2H3,(H3,13,14,15,16,17,18);4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15,16);4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15,16,17);3,5-6H,2,4H2,1H3,(H4,11,12,13,14,15);3,5-6H,2,4H2,1H3,(H4,11,12,13,14,15,16);2,4-5H,1,3H2,(H5,10,11,12,13,14,15)
InChIKeyFVGKTLDCFVNZRX-UHFFFAOYSA-N
XLogP9.92
TPSA863.60 Ų
H-Bond Donors20
H-Bond Acceptors67
Rotatable Bonds52
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002505.04
LogP ≤ 59.92
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1067

Analyze 2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 158152300) is 2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(N(C)CCC2=CCC=C2)n1.CN(C)c1nc(N)nc(N(C)CCc2ccoc2)n1.CN(C)c1nc(NCCC2=CCC=C2)nc(N(C)C)n1.CN(C)c1nc(NCCc2ccoc2)nc(N(C)C)n1.CN(CCc1ccoc1)c1nc(N)nc(N)n1.CNc1nc(N)nc(N(C)CCc2ccoc2)n1.CNc1nc(N)nc(NCCc2ccoc2)n1.CNc1nc(NC)nc(NCCC2=CCC=C2)n1.CNc1nc(NC)nc(NCCc2ccoc2)n1.Nc1nc(N)nc(NCCc2ccoc2)n1.
What is the InChIKey of 2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FVGKTLDCFVNZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6.C13H20N6O.C13H20N6.C12H18N6O.C12H18N6.2C11H16N6O.2C10H14N6O.C9H12N6O/c1-19(2)13-16-12(17-14(18-13)20(3)4)15-10-9-11-7-5-6-8-11;1-18(2)12-15-11(16-13(17-12)19(3)4)14-7-5-10-6-8-20-9-10;1-18(2)12-15-11(14)16-13(17-12)19(3)9-8-10-6-4-5-7-10;1-17(2)11-14-10(13)15-12(16-11)18(3)6-4-9-5-7-19-8-9;1-13-10-16-11(14-2)18-12(17-10)15-8-7-9-5-3-4-6-9;1-13-10-14-9(12)15-11(16-10)17(2)5-3-8-4-6-18-7-8;1-12-9-15-10(13-2)17-11(16-9)14-5-3-8-4-6-18-7-8;1-16(4-2-7-3-5-17-6-7)10-14-8(11)13-9(12)15-10;1-12-9-14-8(11)15-10(16-9)13-4-2-7-3-5-17-6-7;10-7-13-8(11)15-9(14-7)12-3-1-6-2-4-16-5-6/h5,7-8H,6,9-10H2,1-4H3,(H,15,16,17,18);6,8-9H,5,7H2,1-4H3,(H,14,15,16,17);4,6-7H,5,8-9H2,1-3H3,(H2,14,15,16,17);5,7-8H,4,6H2,1-3H3,(H2,13,14,15,16);3,5-6H,4,7-8H2,1-2H3,(H3,13,14,15,16,17,18);4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15,16);4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15,16,17);3,5-6H,2,4H2,1H3,(H4,11,12,13,14,15);3,5-6H,2,4H2,1H3,(H4,11,12,13,14,15,16);2,4-5H,1,3H2,(H5,10,11,12,13,14,15).
What are the key properties of 2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2505.04 g/mol, XLogP of 9.92, 52 rotatable bonds, 20 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;6-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-(2-cyclopenta-1,4-dien-1-ylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(furan-3-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-3-yl)ethyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158152300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).