disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide

C94H103N73Na2O12S4 — CID 158542859

About disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide

disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide (PubChem CID 158542859) has the molecular formula C94H103N73Na2O12S4 and a molecular weight of 2621.60 g/mol. Its IUPAC name is disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide.

Molecular Properties

• Compound Name: disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide
• PubChem CID: 158542859
• Molecular Formula: C94H103N73Na2O12S4
• Molecular Weight: 2621.60 g/mol
• Exact Mass: 2619.84
• IUPAC Name: disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide
• SMILES: C1CCN(c2nnc(N3CCNCC3)nn2)CC1.CN.COS(=O)(=O)c1ccc(-c2nnc(C)nn2)cc1.Cc1nnc(-c2c[c-]cc(S(=O)(=O)[O-])c2)nn1.Cc1nnc(-c2ccc(C(N)=O)cc2)nn1.Cc1nnc(-c2ccccn2)nn1.Cc1nnc(-c2ncccn2)nn1.Cc1nnc(C(N)=O)nn1.Cc1nncnn1.NCc1nnc(N)nn1.Nc1ccccc1-c1nnc(-c2ncccc2N)nn1.Nc1cccnc1-c1nnc(-c2ncncc2N)nn1.Nc1nnc(=O)[nH]n1.Nc1nnc(=S)[nH]n1.O=S(=O)=O.[Na+].[Na+]
• InChI: InChI=1S/C13H11N7.C11H9N9.C11H19N7.C10H9N5O.C10H10N4O3S.C9H7N4O3S.C8H7N5.C7H6N6.C4H5N5O.C3H6N6.C3H4N4.C2H3N5O.C2H3N5S.CH5N.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;1-2-6-17(7-3-1)10-13-15-11(16-14-10)18-8-4-12-5-9-18;1-6-12-14-10(15-13-6)8-4-2-7(3-5-8)9(11)16;1-7-11-13-10(14-12-7)8-3-5-9(6-4-8)18(15,16)17-2;1-6-10-12-9(13-11-6)7-3-2-4-8(5-7)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;1-2-6-8-4(3(5)10)9-7-2;4-1-2-6-8-3(5)9-7-2;1-3-6-4-2-5-7-3;2*3-1-4-6-2(8)7-5-1;1-2;;;1-4(2)3/h1-7H,14-15H2;1-5H,12-13H2;12H,1-9H2;2-5H,1H3,(H2,11,16);3-6H,1-2H3;3-5H,1H3,(H,14,15,16);2-5H,1H3;2-4H,1H3;1H3,(H2,5,10);1,4H2,(H2,5,8,9);2H,1H3;2*(H2,3,4,5)(H,6,7,8);2H2,1H3;;;/q;;;;;-1;;;;;;;;;2*+1;/p-1
• InChIKey: YMMOBGZENWHJBN-UHFFFAOYSA-M
• XLogP: -10.90
• TPSA: 1274.03 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 82
• Rotatable Bonds: 17
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2621.60
LogP ≤ 5	-10.90
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	82

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide?

The IUPAC name of disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide (CID 158542859) is disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide.

What is the SMILES notation for disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide?

The canonical SMILES for disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide is C1CCN(c2nnc(N3CCNCC3)nn2)CC1.CN.COS(=O)(=O)c1ccc(-c2nnc(C)nn2)cc1.Cc1nnc(-c2c[c-]cc(S(=O)(=O)[O-])c2)nn1.Cc1nnc(-c2ccc(C(N)=O)cc2)nn1.Cc1nnc(-c2ccccn2)nn1.Cc1nnc(-c2ncccn2)nn1.Cc1nnc(C(N)=O)nn1.Cc1nncnn1.NCc1nnc(N)nn1.Nc1ccccc1-c1nnc(-c2ncccc2N)nn1.Nc1cccnc1-c1nnc(-c2ncncc2N)nn1.Nc1nnc(=O)[nH]n1.Nc1nnc(=S)[nH]n1.O=S(=O)=O.[Na+].[Na+].

What is the InChIKey of disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide?

The InChIKey is YMMOBGZENWHJBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11N7.C11H9N9.C11H19N7.C10H9N5O.C10H10N4O3S.C9H7N4O3S.C8H7N5.C7H6N6.C4H5N5O.C3H6N6.C3H4N4.C2H3N5O.C2H3N5S.CH5N.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;1-2-6-17(7-3-1)10-13-15-11(16-14-10)18-8-4-12-5-9-18;1-6-12-14-10(15-13-6)8-4-2-7(3-5-8)9(11)16;1-7-11-13-10(14-12-7)8-3-5-9(6-4-8)18(15,16)17-2;1-6-10-12-9(13-11-6)7-3-2-4-8(5-7)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;1-2-6-8-4(3(5)10)9-7-2;4-1-2-6-8-3(5)9-7-2;1-3-6-4-2-5-7-3;2*3-1-4-6-2(8)7-5-1;1-2;;;1-4(2)3/h1-7H,14-15H2;1-5H,12-13H2;12H,1-9H2;2-5H,1H3,(H2,11,16);3-6H,1-2H3;3-5H,1H3,(H,14,15,16);2-5H,1H3;2-4H,1H3;1H3,(H2,5,10);1,4H2,(H2,5,8,9);2H,1H3;2*(H2,3,4,5)(H,6,7,8);2H2,1H3;;;/q;;;;;-1;;;;;;;;;2*+1;/p-1.

What are the key properties of disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide?

disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide has a molecular weight of 2621.60 g/mol, XLogP of -10.90, 17 rotatable bonds, 14 hydrogen bond donors, and 82 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;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;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;methanamine;methyl 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzenesulfonate;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;3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzene-5-ide-1-sulfonate;3-piperazin-1-yl-6-piperidin-1-yl-1,2,4,5-tetrazine;sulfur trioxide is sourced from PubChem (CID 158542859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).