3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide

C69H60N36O5S5 — CID 159416663

About 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide

3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide (PubChem CID 159416663) has the molecular formula C69H60N36O5S5 and a molecular weight of 1633.82 g/mol. Its IUPAC name is 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide.

Molecular Properties

• Compound Name: 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide
• PubChem CID: 159416663
• Molecular Formula: C69H60N36O5S5
• Molecular Weight: 1633.82 g/mol
• Exact Mass: 1632.42
• IUPAC Name: 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(Oc2nnc(C)c(Nc3nncs3)n2)cc1.CN(C)c1nnc(Sc2ccc3[nH]ncc3c2)nc1Nc1nnco1.CN(c1ccc2ncsc2c1)c1nncc(Nc2cncs2)n1.COc1nnc(-c2ccccc2)nc1Nc1scnc1C.c1nnc(Nc2cnnc(Cc3ccc4[nH]ncc4c3)n2)o1
• InChI: InChI=1S/C14H13N9OS.C14H13N7O2S.C14H11N7S2.C14H13N5OS.C13H10N8O/c1-23(2)12-11(17-13-21-16-7-24-13)18-14(22-20-12)25-9-3-4-10-8(5-9)6-15-19-10;1-8-12(18-14-21-15-7-24-14)17-13(20-19-8)23-11-5-3-10(4-6-11)16-9(2)22;1-21(9-2-3-10-11(4-9)22-8-16-10)14-19-12(5-17-20-14)18-13-6-15-7-23-13;1-9-14(21-8-15-9)17-12-13(20-2)19-18-11(16-12)10-6-4-3-5-7-10;1-2-10-9(5-14-19-10)3-8(1)4-11-17-12(6-15-20-11)18-13-21-16-7-22-13/h3-7H,1-2H3,(H,15,19)(H,17,18,21,22);3-7H,1-2H3,(H,16,22)(H,17,18,20,21);2-8H,1H3,(H,18,19,20);3-8H,1-2H3,(H,16,17,18);1-3,5-7H,4H2,(H,14,19)(H,17,18,20,21)
• InChIKey: LPGAEVXLXKADQB-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 507.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 22
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1633.82
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide?

The IUPAC name of 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide (CID 159416663) is 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide.

What is the SMILES notation for 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide?

The canonical SMILES for 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2nnc(C)c(Nc3nncs3)n2)cc1.CN(C)c1nnc(Sc2ccc3[nH]ncc3c2)nc1Nc1nnco1.CN(c1ccc2ncsc2c1)c1nncc(Nc2cncs2)n1.COc1nnc(-c2ccccc2)nc1Nc1scnc1C.c1nnc(Nc2cnnc(Cc3ccc4[nH]ncc4c3)n2)o1.

What is the InChIKey of 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide?

The InChIKey is LPGAEVXLXKADQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N9OS.C14H13N7O2S.C14H11N7S2.C14H13N5OS.C13H10N8O/c1-23(2)12-11(17-13-21-16-7-24-13)18-14(22-20-12)25-9-3-4-10-8(5-9)6-15-19-10;1-8-12(18-14-21-15-7-24-14)17-13(20-19-8)23-11-5-3-10(4-6-11)16-9(2)22;1-21(9-2-3-10-11(4-9)22-8-16-10)14-19-12(5-17-20-14)18-13-6-15-7-23-13;1-9-14(21-8-15-9)17-12-13(20-2)19-18-11(16-12)10-6-4-3-5-7-10;1-2-10-9(5-14-19-10)3-8(1)4-11-17-12(6-15-20-11)18-13-21-16-7-22-13/h3-7H,1-2H3,(H,15,19)(H,17,18,21,22);3-7H,1-2H3,(H,16,22)(H,17,18,20,21);2-8H,1H3,(H,18,19,20);3-8H,1-2H3,(H,16,17,18);1-3,5-7H,4H2,(H,14,19)(H,17,18,20,21).

What are the key properties of 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide?

3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide has a molecular weight of 1633.82 g/mol, XLogP of 12.59, 22 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(1,3-benzothiazol-6-yl)-3-N-methyl-5-N-(1,3-thiazol-5-yl)-1,2,4-triazine-3,5-diamine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;3-(1H-indazol-5-ylsulfanyl)-6-N,6-N-dimethyl-5-N-(1,3,4-oxadiazol-2-yl)-1,2,4-triazine-5,6-diamine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 159416663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).