(1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine

C65H85Cl6F4N23O4 — CID 172917125

IUPAC(1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine
SMILESC/C=N\NN.CCNc1nc(Nc2ccc(OC)c(F)c2)nc(NC2CCCCCC2)n1.COc1ccc(N)cc1F.COc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1F.COc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1F.Clc1nc(Cl)nc(Cl)n1.NC1CCCCCC1
InChIInChI=1S/C19H27FN6O.C17H21ClFN5O.C10H7Cl2FN4O.C7H8FNO.C7H15N.C3Cl3N3.C2H7N3/c1-3-21-17-24-18(22-13-8-6-4-5-7-9-13)26-19(25-17)23-14-10-11-16(27-2)15(20)12-14;1-25-14-9-8-12(10-13(14)19)21-17-23-15(18)22-16(24-17)20-11-6-4-2-3-5-7-11;1-18-7-3-2-5(4-6(7)13)14-10-16-8(11)15-9(12)17-10;1-10-7-3-2-5(9)4-6(7)8;8-7-5-3-1-2-4-6-7;4-1-7-2(5)9-3(6)8-1;1-2-4-5-3/h10-13H,3-9H2,1-2H3,(H3,21,22,23,24,25,26);8-11H,2-7H2,1H3,(H2,20,21,22,23,24);2-4H,1H3,(H,14,15,16,17);2-4H,9H2,1H3;7H,1-6,8H2;;2,5H,3H2,1H3/b;;;;;;4-2-
InChIKeyPIRHWCMTWUQYFN-PNZCZMRVSA-N
MW1541.26 g/mol
LogP16.32
Rot. Bonds17

About (1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine

(1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine (PubChem CID 172917125) has the molecular formula C65H85Cl6F4N23O4 and a molecular weight of 1541.26 g/mol. Its IUPAC name is (1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Name(1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine
PubChem CID172917125
Molecular FormulaC65H85Cl6F4N23O4
Molecular Weight1541.26 g/mol
Exact Mass1537.52
IUPAC Name(1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine
SMILESC/C=N\NN.CCNc1nc(Nc2ccc(OC)c(F)c2)nc(NC2CCCCCC2)n1.COc1ccc(N)cc1F.COc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1F.COc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1F.Clc1nc(Cl)nc(Cl)n1.NC1CCCCCC1
InChIInChI=1S/C19H27FN6O.C17H21ClFN5O.C10H7Cl2FN4O.C7H8FNO.C7H15N.C3Cl3N3.C2H7N3/c1-3-21-17-24-18(22-13-8-6-4-5-7-9-13)26-19(25-17)23-14-10-11-16(27-2)15(20)12-14;1-25-14-9-8-12(10-13(14)19)21-17-23-15(18)22-16(24-17)20-11-6-4-2-3-5-7-11;1-18-7-3-2-5(4-6(7)13)14-10-16-8(11)15-9(12)17-10;1-10-7-3-2-5(9)4-6(7)8;8-7-5-3-1-2-4-6-7;4-1-7-2(5)9-3(6)8-1;1-2-4-5-3/h10-13H,3-9H2,1-2H3,(H3,21,22,23,24,25,26);8-11H,2-7H2,1H3,(H2,20,21,22,23,24);2-4H,1H3,(H,14,15,16,17);2-4H,9H2,1H3;7H,1-6,8H2;;2,5H,3H2,1H3/b;;;;;;4-2-
InChIKeyPIRHWCMTWUQYFN-PNZCZMRVSA-N
XLogP16.32
TPSA366.23 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001541.26
LogP ≤ 516.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of (1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine (CID 172917125) is (1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for (1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for (1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine is C/C=N\NN.CCNc1nc(Nc2ccc(OC)c(F)c2)nc(NC2CCCCCC2)n1.COc1ccc(N)cc1F.COc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1F.COc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1F.Clc1nc(Cl)nc(Cl)n1.NC1CCCCCC1.
What is the InChIKey of (1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine?
The InChIKey is PIRHWCMTWUQYFN-PNZCZMRVSA-N. The full InChI is InChI=1S/C19H27FN6O.C17H21ClFN5O.C10H7Cl2FN4O.C7H8FNO.C7H15N.C3Cl3N3.C2H7N3/c1-3-21-17-24-18(22-13-8-6-4-5-7-9-13)26-19(25-17)23-14-10-11-16(27-2)15(20)12-14;1-25-14-9-8-12(10-13(14)19)21-17-23-15(18)22-16(24-17)20-11-6-4-2-3-5-7-11;1-18-7-3-2-5(4-6(7)13)14-10-16-8(11)15-9(12)17-10;1-10-7-3-2-5(9)4-6(7)8;8-7-5-3-1-2-4-6-7;4-1-7-2(5)9-3(6)8-1;1-2-4-5-3/h10-13H,3-9H2,1-2H3,(H3,21,22,23,24,25,26);8-11H,2-7H2,1H3,(H2,20,21,22,23,24);2-4H,1H3,(H,14,15,16,17);2-4H,9H2,1H3;7H,1-6,8H2;;2,5H,3H2,1H3/b;;;;;;4-2-.
What are the key properties of (1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine?
(1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 1541.26 g/mol, XLogP of 16.32, 17 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-(aminohydrazinylidene)ethane;6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;3-fluoro-4-methoxyaniline;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 172917125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).