disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide

C82H84N50Na2O8S2 — CID 160637018

About disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide

disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide (PubChem CID 160637018) has the molecular formula C82H84N50Na2O8S2 and a molecular weight of 2008.03 g/mol. Its IUPAC name is disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide.

Molecular Properties

• Compound Name: disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide
• PubChem CID: 160637018
• Molecular Formula: C82H84N50Na2O8S2
• Molecular Weight: 2008.03 g/mol
• Exact Mass: 2006.69
• IUPAC Name: disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide
• SMILES: CCCCCCCN.Cc1c[c-]cc(-c2nnc(C)nn2)c1.Cc1nnc(-c2ccc(C(N)=O)cc2)nn1.Cc1nnc(-c2ccc(S(=O)(=O)[O-])cc2)nn1.Cc1nnc(-c2ccccn2)nn1.Cc1nnc(-c2ncccn2)nn1.Cc1nnc(C(N)=O)nn1.Cc1nncnn1.Nc1ccccc1-c1nnc(-c2ncccc2N)nn1.Nc1cccnc1-c1nnc(-c2ncncc2N)nn1.O=S(=O)=O.[Na+].[Na+]
• InChI: InChI=1S/C13H11N7.C11H9N9.C10H9N5O.C10H9N4.C9H8N4O3S.C8H7N5.C7H6N6.C7H17N.C4H5N5O.C3H4N4.2Na.O3S/c14-9-5-2-1-4-8(9)12-17-19-13(20-18-12)11-10(15)6-3-7-16-11;12-6-2-1-3-15-8(6)10-17-19-11(20-18-10)9-7(13)4-14-5-16-9;1-6-12-14-10(15-13-6)8-4-2-7(3-5-8)9(11)16;1-7-4-3-5-9(6-7)10-13-11-8(2)12-14-10;1-6-10-12-9(13-11-6)7-2-4-8(5-3-7)17(14,15)16;1-6-10-12-8(13-11-6)7-4-2-3-5-9-7;1-5-10-12-7(13-11-5)6-8-3-2-4-9-6;1-2-3-4-5-6-7-8;1-2-6-8-4(3(5)10)9-7-2;1-3-6-4-2-5-7-3;;;1-4(2)3/h1-7H,14-15H2;1-5H,12-13H2;2-5H,1H3,(H2,11,16);4-6H,1-2H3;2-5H,1H3,(H,14,15,16);2-5H,1H3;2-4H,1H3;2-8H2,1H3;1H3,(H2,5,10);2H,1H3;;;/q;;;-1;;;;;;;2*+1;/p-1
• InChIKey: BFICYAHIYYEIGI-UHFFFAOYSA-M
• XLogP: -3.21
• TPSA: 878.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 56
• Rotatable Bonds: 17
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.03
LogP ≤ 5	-3.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide?

The IUPAC name of disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide (CID 160637018) is disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide.

What is the SMILES notation for disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide?

The canonical SMILES for disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide is CCCCCCCN.Cc1c[c-]cc(-c2nnc(C)nn2)c1.Cc1nnc(-c2ccc(C(N)=O)cc2)nn1.Cc1nnc(-c2ccc(S(=O)(=O)[O-])cc2)nn1.Cc1nnc(-c2ccccn2)nn1.Cc1nnc(-c2ncccn2)nn1.Cc1nnc(C(N)=O)nn1.Cc1nncnn1.Nc1ccccc1-c1nnc(-c2ncccc2N)nn1.Nc1cccnc1-c1nnc(-c2ncncc2N)nn1.O=S(=O)=O.[Na+].[Na+].

What is the InChIKey of disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide?

The InChIKey is BFICYAHIYYEIGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11N7.C11H9N9.C10H9N5O.C10H9N4.C9H8N4O3S.C8H7N5.C7H6N6.C7H17N.C4H5N5O.C3H4N4.2Na.O3S/c14-9-5-2-1-4-8(9)12-17-19-13(20-18-12)11-10(15)6-3-7-16-11;12-6-2-1-3-15-8(6)10-17-19-11(20-18-10)9-7(13)4-14-5-16-9;1-6-12-14-10(15-13-6)8-4-2-7(3-5-8)9(11)16;1-7-4-3-5-9(6-7)10-13-11-8(2)12-14-10;1-6-10-12-9(13-11-6)7-2-4-8(5-3-7)17(14,15)16;1-6-10-12-8(13-11-6)7-4-2-3-5-9-7;1-5-10-12-7(13-11-5)6-8-3-2-4-9-6;1-2-3-4-5-6-7-8;1-2-6-8-4(3(5)10)9-7-2;1-3-6-4-2-5-7-3;;;1-4(2)3/h1-7H,14-15H2;1-5H,12-13H2;2-5H,1H3,(H2,11,16);4-6H,1-2H3;2-5H,1H3,(H,14,15,16);2-5H,1H3;2-4H,1H3;2-8H2,1H3;1H3,(H2,5,10);2H,1H3;;;/q;;;-1;;;;;;;2*+1;/p-1.

What are the key properties of disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide?

disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide has a molecular weight of 2008.03 g/mol, XLogP of -3.21, 17 rotatable bonds, 7 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-[6-(2-aminophenyl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine;4-[6-(3-amino-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidin-5-amine;heptan-1-amine;3-methyl-6-(3-methylbenzene-5-id-1-yl)-1,2,4,5-tetrazine;3-methyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-methyl-6-pyrimidin-2-yl-1,2,4,5-tetrazine;3-methyl-1,2,4,5-tetrazine;6-methyl-1,2,4,5-tetrazine-3-carboxamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;sulfur trioxide is sourced from PubChem (CID 160637018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).