4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

C116H177N55O7 — CID 176516751

IUPAC4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESC/N=C1/NC(N(C)c2ccoc2)=NC(C)N1.C/N=C1/NC(Nc2ccoc2)=NC(C)N1.CC1N=C(N(C)C)N(C)C(N(C)C2=CCC=C2)=N1.CC1N=C(N(C)C)N(C)C(N(C)c2ccoc2)=N1.CC1N=C(N(C)C)NC(N(C)C2=CCC=C2)=N1.CC1N=C(N(C)C)NC(N(C)c2ccoc2)=N1.CC1N=C(N)NC(N(C)c2ccoc2)=N1.CC1N=C(N)NC(Nc2ccoc2)=N1.CC1N=C(NC2=CCC=C2)NC(N(C)C)=N1.CC1N=C(Nc2ccoc2)NC(N(C)C)=N1.CNC1=NC(N(C)C2=CCC=C2)=NC(C)N1
InChIInChI=1S/C13H21N5.C12H19N5O.C12H19N5.C11H17N5O.2C11H17N5.2C10H15N5O.2C9H13N5O.C8H11N5O/c1-10-14-12(16(2)3)18(5)13(15-10)17(4)11-8-6-7-9-11;1-9-13-11(15(2)3)17(5)12(14-9)16(4)10-6-7-18-8-10;1-9-13-11(16(2)3)15-12(14-9)17(4)10-7-5-6-8-10;1-8-12-10(15(2)3)14-11(13-8)16(4)9-5-6-17-7-9;1-8-12-10(14-9-6-4-5-7-9)15-11(13-8)16(2)3;1-8-13-10(12-2)15-11(14-8)16(3)9-6-4-5-7-9;1-7-11-9(13-8-4-5-16-6-8)14-10(12-7)15(2)3;1-7-12-9(11-2)14-10(13-7)15(3)8-4-5-16-6-8;1-6-11-8(10)13-9(12-6)14(2)7-3-4-15-5-7;1-6-11-8(10-2)14-9(12-6)13-7-3-4-15-5-7;1-5-10-7(9)13-8(11-5)12-6-2-3-14-4-6/h6,8-10H,7H2,1-5H3;6-9H,1-5H3;5,7-9H,6H2,1-4H3,(H,13,14,15);5-8H,1-4H3,(H,12,13,14);2*4,6-8H,5H2,1-3H3,(H2,12,13,14,15);2*4-7H,1-3H3,(H2,11,12,13,14);3-6H,1-2H3,(H3,10,11,12,13);3-6H,1-2H3,(H3,10,11,12,13,14);2-5H,1H3,(H4,9,10,11,12,13)
InChIKeyOGNSKMAAVXHONE-UHFFFAOYSA-N
MW2454.07 g/mol
LogP8.55
Rot. Bonds11

About 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 176516751) has the molecular formula C116H177N55O7 and a molecular weight of 2454.07 g/mol. Its IUPAC name is 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID176516751
Molecular FormulaC116H177N55O7
Molecular Weight2454.07 g/mol
Exact Mass2452.52
IUPAC Name4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESC/N=C1/NC(N(C)c2ccoc2)=NC(C)N1.C/N=C1/NC(Nc2ccoc2)=NC(C)N1.CC1N=C(N(C)C)N(C)C(N(C)C2=CCC=C2)=N1.CC1N=C(N(C)C)N(C)C(N(C)c2ccoc2)=N1.CC1N=C(N(C)C)NC(N(C)C2=CCC=C2)=N1.CC1N=C(N(C)C)NC(N(C)c2ccoc2)=N1.CC1N=C(N)NC(N(C)c2ccoc2)=N1.CC1N=C(N)NC(Nc2ccoc2)=N1.CC1N=C(NC2=CCC=C2)NC(N(C)C)=N1.CC1N=C(Nc2ccoc2)NC(N(C)C)=N1.CNC1=NC(N(C)C2=CCC=C2)=NC(C)N1
InChIInChI=1S/C13H21N5.C12H19N5O.C12H19N5.C11H17N5O.2C11H17N5.2C10H15N5O.2C9H13N5O.C8H11N5O/c1-10-14-12(16(2)3)18(5)13(15-10)17(4)11-8-6-7-9-11;1-9-13-11(15(2)3)17(5)12(14-9)16(4)10-6-7-18-8-10;1-9-13-11(16(2)3)15-12(14-9)17(4)10-7-5-6-8-10;1-8-12-10(15(2)3)14-11(13-8)16(4)9-5-6-17-7-9;1-8-12-10(14-9-6-4-5-7-9)15-11(13-8)16(2)3;1-8-13-10(12-2)15-11(14-8)16(3)9-6-4-5-7-9;1-7-11-9(13-8-4-5-16-6-8)14-10(12-7)15(2)3;1-7-12-9(11-2)14-10(13-7)15(3)8-4-5-16-6-8;1-6-11-8(10)13-9(12-6)14(2)7-3-4-15-5-7;1-6-11-8(10-2)14-9(12-6)13-7-3-4-15-5-7;1-5-10-7(9)13-8(11-5)12-6-2-3-14-4-6/h6,8-10H,7H2,1-5H3;6-9H,1-5H3;5,7-9H,6H2,1-4H3,(H,13,14,15);5-8H,1-4H3,(H,12,13,14);2*4,6-8H,5H2,1-3H3,(H2,12,13,14,15);2*4-7H,1-3H3,(H2,11,12,13,14);3-6H,1-2H3,(H3,10,11,12,13);3-6H,1-2H3,(H3,10,11,12,13,14);2-5H,1H3,(H4,9,10,11,12,13)
InChIKeyOGNSKMAAVXHONE-UHFFFAOYSA-N
XLogP8.55
TPSA657.02 Ų
H-Bond Donors18
H-Bond Acceptors58
Rotatable Bonds11
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002454.07
LogP ≤ 58.55
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 176516751) is 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is C/N=C1/NC(N(C)c2ccoc2)=NC(C)N1.C/N=C1/NC(Nc2ccoc2)=NC(C)N1.CC1N=C(N(C)C)N(C)C(N(C)C2=CCC=C2)=N1.CC1N=C(N(C)C)N(C)C(N(C)c2ccoc2)=N1.CC1N=C(N(C)C)NC(N(C)C2=CCC=C2)=N1.CC1N=C(N(C)C)NC(N(C)c2ccoc2)=N1.CC1N=C(N)NC(N(C)c2ccoc2)=N1.CC1N=C(N)NC(Nc2ccoc2)=N1.CC1N=C(NC2=CCC=C2)NC(N(C)C)=N1.CC1N=C(Nc2ccoc2)NC(N(C)C)=N1.CNC1=NC(N(C)C2=CCC=C2)=NC(C)N1.
What is the InChIKey of 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is OGNSKMAAVXHONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5.C12H19N5O.C12H19N5.C11H17N5O.2C11H17N5.2C10H15N5O.2C9H13N5O.C8H11N5O/c1-10-14-12(16(2)3)18(5)13(15-10)17(4)11-8-6-7-9-11;1-9-13-11(15(2)3)17(5)12(14-9)16(4)10-6-7-18-8-10;1-9-13-11(16(2)3)15-12(14-9)17(4)10-7-5-6-8-10;1-8-12-10(15(2)3)14-11(13-8)16(4)9-5-6-17-7-9;1-8-12-10(14-9-6-4-5-7-9)15-11(13-8)16(2)3;1-8-13-10(12-2)15-11(14-8)16(3)9-6-4-5-7-9;1-7-11-9(13-8-4-5-16-6-8)14-10(12-7)15(2)3;1-7-12-9(11-2)14-10(13-7)15(3)8-4-5-16-6-8;1-6-11-8(10)13-9(12-6)14(2)7-3-4-15-5-7;1-6-11-8(10-2)14-9(12-6)13-7-3-4-15-5-7;1-5-10-7(9)13-8(11-5)12-6-2-3-14-4-6/h6,8-10H,7H2,1-5H3;6-9H,1-5H3;5,7-9H,6H2,1-4H3,(H,13,14,15);5-8H,1-4H3,(H,12,13,14);2*4,6-8H,5H2,1-3H3,(H2,12,13,14,15);2*4-7H,1-3H3,(H2,11,12,13,14);3-6H,1-2H3,(H3,10,11,12,13);3-6H,1-2H3,(H3,10,11,12,13,14);2-5H,1H3,(H4,9,10,11,12,13).
What are the key properties of 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 2454.07 g/mol, XLogP of 8.55, 11 rotatable bonds, 18 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-cyclopenta-1,4-dien-1-yl-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-cyclopenta-1,4-dien-1-yl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(furan-3-yl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-3-yl)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-3-yl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-3-yl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(furan-3-yl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 176516751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).