N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride

C85H97Cl4N25O4S — CID 158094156

About N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride

N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride (PubChem CID 158094156) has the molecular formula C85H97Cl4N25O4S and a molecular weight of 1708.77 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride.

Molecular Properties

• Compound Name: N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride
• PubChem CID: 158094156
• Molecular Formula: C85H97Cl4N25O4S
• Molecular Weight: 1708.77 g/mol
• Exact Mass: 1705.67
• IUPAC Name: N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride
• SMILES: Cc1cc(C)c(N)cc1C.Cc1cc(C)c(Nc2nccc(N(C)c3cc4nn(C)c(C)c4cc3C)n2)cc1C.Cc1cc2c(C)[nH]nc2cc1[N+](=O)[O-].Cc1cc2c(C)n(C)nc2cc1N(C)c1ccnc(Cl)n1.Cc1cc2c(C)n(C)nc2cc1Nc1ccnc(Cl)n1.Cc1cc2c(C)n(C)nc2cc1[N+](=O)[O-].Clc1ccnc(Cl)n1.S.[H][3H]
• InChI: InChI=1S/C24H28N6.C15H16ClN5.C14H14ClN5.C10H11N3O2.C9H9N3O2.C9H13N.C4H2Cl2N2.H2S.H2/c1-14-10-16(3)20(12-15(14)2)26-24-25-9-8-23(27-24)29(6)22-13-21-19(11-17(22)4)18(5)30(7)28-21;1-9-7-11-10(2)21(4)19-12(11)8-13(9)20(3)14-5-6-17-15(16)18-14;1-8-6-10-9(2)20(3)19-12(10)7-11(8)17-13-4-5-16-14(15)18-13;1-6-4-8-7(2)12(3)11-9(8)5-10(6)13(14)15;1-5-3-7-6(2)10-11-8(7)4-9(5)12(13)14;1-6-4-8(3)9(10)5-7(6)2;5-3-1-2-7-4(6)8-3;;/h8-13H,1-7H3,(H,25,26,27);5-8H,1-4H3;4-7H,1-3H3,(H,16,17,18);4-5H,1-3H3;3-4H,1-2H3,(H,10,11);4-5H,10H2,1-3H3;1-2H;1H2;1H/i;;;;;;;;1+2
• InChIKey: FOLVOGGUYQXCRW-JLGFWVMKSA-N
• XLogP: 20.72
• TPSA: 345.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1708.77
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride?

The IUPAC name of N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride (CID 158094156) is N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride.

What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride?

The canonical SMILES for N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride is Cc1cc(C)c(N)cc1C.Cc1cc(C)c(Nc2nccc(N(C)c3cc4nn(C)c(C)c4cc3C)n2)cc1C.Cc1cc2c(C)[nH]nc2cc1[N+](=O)[O-].Cc1cc2c(C)n(C)nc2cc1N(C)c1ccnc(Cl)n1.Cc1cc2c(C)n(C)nc2cc1Nc1ccnc(Cl)n1.Cc1cc2c(C)n(C)nc2cc1[N+](=O)[O-].Clc1ccnc(Cl)n1.S.[H][3H].

What is the InChIKey of N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride?

The InChIKey is FOLVOGGUYQXCRW-JLGFWVMKSA-N. The full InChI is InChI=1S/C24H28N6.C15H16ClN5.C14H14ClN5.C10H11N3O2.C9H9N3O2.C9H13N.C4H2Cl2N2.H2S.H2/c1-14-10-16(3)20(12-15(14)2)26-24-25-9-8-23(27-24)29(6)22-13-21-19(11-17(22)4)18(5)30(7)28-21;1-9-7-11-10(2)21(4)19-12(11)8-13(9)20(3)14-5-6-17-15(16)18-14;1-8-6-10-9(2)20(3)19-12(10)7-11(8)17-13-4-5-16-14(15)18-13;1-6-4-8-7(2)12(3)11-9(8)5-10(6)13(14)15;1-5-3-7-6(2)10-11-8(7)4-9(5)12(13)14;1-6-4-8(3)9(10)5-7(6)2;5-3-1-2-7-4(6)8-3;;/h8-13H,1-7H3,(H,25,26,27);5-8H,1-4H3;4-7H,1-3H3,(H,16,17,18);4-5H,1-3H3;3-4H,1-2H3,(H,10,11);4-5H,10H2,1-3H3;1-2H;1H2;1H/i;;;;;;;;1+2.

What are the key properties of N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride?

N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride has a molecular weight of 1708.77 g/mol, XLogP of 20.72, 10 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride is sourced from PubChem (CID 158094156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).