1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine

C101H105N63O3S2 — CID 158817050

About 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine

1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine (PubChem CID 158817050) has the molecular formula C101H105N63O3S2 and a molecular weight of 2313.52 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine.

Molecular Properties

• Compound Name: 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine
• PubChem CID: 158817050
• Molecular Formula: C101H105N63O3S2
• Molecular Weight: 2313.52 g/mol
• Exact Mass: 2311.94
• IUPAC Name: 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine
• SMILES: C.C=N/C(N)=N\C.CNc1cc(C)c(/N=N/c2c(C#N)cnn2-c2nc3ccccc3s2)c(NC)n1.CNc1nc(N)nc(N)c1/N=N/c1c(C#N)cnn1-c1cc(N)nc(N)n1.CNc1nc(N2CCCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1nc(Cc2ncnc(=O)[nH]2)[nH]c(=O)n1.CNc1nc(Nc2ccc3c(c2)NC(=O)C3)cc(C)c1/N=N/c1c(C#N)cnn1-c1nc2ccccc2s1.N#Cc1cnn(-c2ncccn2)c1/N=N/c1c(N)nc(N)nc1NCCCCCN
• InChI: InChI=1S/C26H20N10OS.C22H22N14O2.C19H17N9S.C17H21N13.C13H14N14.C3H7N3.CH4/c1-14-9-21(30-17-8-7-15-10-22(37)31-19(15)11-17)33-24(28-2)23(14)34-35-25-16(12-27)13-29-36(25)26-32-18-5-3-4-6-20(18)38-26;1-12-7-16(35-5-3-4-6-35)31-18(24-2)17(12)33-34-19-13(9-23)10-27-36(19)20-28-15(30-22(38)32-20)8-14-25-11-26-21(37)29-14;1-11-8-15(21-2)25-17(22-3)16(11)26-27-18-12(9-20)10-23-28(18)19-24-13-6-4-5-7-14(13)29-19;18-5-2-1-3-6-22-14-12(13(20)26-16(21)27-14)28-29-15-11(9-19)10-25-30(15)17-23-7-4-8-24-17;1-19-10-8(9(16)23-13(18)24-10)25-26-11-5(3-14)4-20-27(11)7-2-6(15)21-12(17)22-7;1-5-3(4)6-2;/h3-9,11,13H,10H2,1-2H3,(H,31,37)(H2,28,30,33);7,10-11H,3-6,8H2,1-2H3,(H,24,31)(H,25,26,29,37)(H,28,30,32,38);4-8,10H,1-3H3,(H2,21,22,25);4,7-8,10H,1-3,5-6,18H2,(H5,20,21,22,26,27);2,4H,1H3,(H4,15,17,21,22)(H5,16,18,19,23,24);1H2,2H3,(H2,4,6);1H4/b35-34+;34-33+;27-26+;29-28+;26-25+
• InChIKey: IVJZSLYJASBATM-KVQAUWINSA-N
• XLogP: 13.18
• TPSA: 965.93 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 63
• Rotatable Bonds: 31
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2313.52
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine?

The IUPAC name of 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine (CID 158817050) is 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine.

What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine?

The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine is C.C=N/C(N)=N\C.CNc1cc(C)c(/N=N/c2c(C#N)cnn2-c2nc3ccccc3s2)c(NC)n1.CNc1nc(N)nc(N)c1/N=N/c1c(C#N)cnn1-c1cc(N)nc(N)n1.CNc1nc(N2CCCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1nc(Cc2ncnc(=O)[nH]2)[nH]c(=O)n1.CNc1nc(Nc2ccc3c(c2)NC(=O)C3)cc(C)c1/N=N/c1c(C#N)cnn1-c1nc2ccccc2s1.N#Cc1cnn(-c2ncccn2)c1/N=N/c1c(N)nc(N)nc1NCCCCCN.

What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine?

The InChIKey is IVJZSLYJASBATM-KVQAUWINSA-N. The full InChI is InChI=1S/C26H20N10OS.C22H22N14O2.C19H17N9S.C17H21N13.C13H14N14.C3H7N3.CH4/c1-14-9-21(30-17-8-7-15-10-22(37)31-19(15)11-17)33-24(28-2)23(14)34-35-25-16(12-27)13-29-36(25)26-32-18-5-3-4-6-20(18)38-26;1-12-7-16(35-5-3-4-6-35)31-18(24-2)17(12)33-34-19-13(9-23)10-27-36(19)20-28-15(30-22(38)32-20)8-14-25-11-26-21(37)29-14;1-11-8-15(21-2)25-17(22-3)16(11)26-27-18-12(9-20)10-23-28(18)19-24-13-6-4-5-7-14(13)29-19;18-5-2-1-3-6-22-14-12(13(20)26-16(21)27-14)28-29-15-11(9-19)10-25-30(15)17-23-7-4-8-24-17;1-19-10-8(9(16)23-13(18)24-10)25-26-11-5(3-14)4-20-27(11)7-2-6(15)21-12(17)22-7;1-5-3(4)6-2;/h3-9,11,13H,10H2,1-2H3,(H,31,37)(H2,28,30,33);7,10-11H,3-6,8H2,1-2H3,(H,24,31)(H,25,26,29,37)(H,28,30,32,38);4-8,10H,1-3H3,(H2,21,22,25);4,7-8,10H,1-3,5-6,18H2,(H5,20,21,22,26,27);2,4H,1H3,(H4,15,17,21,22)(H5,16,18,19,23,24);1H2,2H3,(H2,4,6);1H4/b35-34+;34-33+;27-26+;29-28+;26-25+;;.

What are the key properties of 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine?

1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine has a molecular weight of 2313.52 g/mol, XLogP of 13.18, 31 rotatable bonds, 18 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2,6-bis(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;5-[[2,4-diamino-6-(5-aminopentylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[2,4-diamino-6-(methylamino)pyrimidin-5-yl]diazenyl]-1-(2,6-diaminopyrimidin-4-yl)pyrazole-4-carbonitrile;methane;5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-[2-oxo-6-[(6-oxo-1H-1,3,5-triazin-2-yl)methyl]-1H-1,3,5-triazin-4-yl]pyrazole-4-carbonitrile;2-methyl-1-methylideneguanidine is sourced from PubChem (CID 158817050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).