5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine

C105H128Cl12N50 — CID 162076645

About 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine

5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 162076645) has the molecular formula C105H128Cl12N50 and a molecular weight of 2515.96 g/mol. Its IUPAC name is 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
• PubChem CID: 162076645
• Molecular Formula: C105H128Cl12N50
• Molecular Weight: 2515.96 g/mol
• Exact Mass: 2508.78
• IUPAC Name: 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
• SMILES: CC(C)Nc1n[nH]c(Nc2ccccc2Cl)n1.CC(C)Nc1nc(NCCc2ccccc2Cl)n[nH]1.CC(C)Nc1nc(NCc2ccccc2Cl)n[nH]1.CN(C)c1n[nH]c(NCc2ccc(Cl)c(Cl)c2)n1.CN(C)c1n[nH]c(NCc2ccccc2Cl)n1.CN(C)c1n[nH]c(Nc2ccc(Cl)c(Cl)c2)n1.CN(C)c1n[nH]c(Nc2ccccc2Cl)n1.Nc1nc(NCCc2ccccc2Cl)n[nH]1.Nc1nc(NCc2ccccc2Cl)n[nH]1.Nc1nc(Nc2ccccc2Cl)n[nH]1
• InChI: InChI=1S/C13H18ClN5.C12H16ClN5.C11H13Cl2N5.2C11H14ClN5.C10H11Cl2N5.2C10H12ClN5.C9H10ClN5.C8H8ClN5/c1-9(2)16-13-17-12(18-19-13)15-8-7-10-5-3-4-6-11(10)14;1-8(2)15-12-16-11(17-18-12)14-7-9-5-3-4-6-10(9)13;1-18(2)11-15-10(16-17-11)14-6-7-3-4-8(12)9(13)5-7;1-17(2)11-14-10(15-16-11)13-7-8-5-3-4-6-9(8)12;1-7(2)13-10-15-11(17-16-10)14-9-6-4-3-5-8(9)12;1-17(2)10-14-9(15-16-10)13-6-3-4-7(11)8(12)5-6;1-16(2)10-13-9(14-15-10)12-8-6-4-3-5-7(8)11;11-8-4-2-1-3-7(8)5-6-13-10-14-9(12)15-16-10;10-7-4-2-1-3-6(7)5-12-9-13-8(11)14-15-9;9-5-3-1-2-4-6(5)11-8-12-7(10)13-14-8/h3-6,9H,7-8H2,1-2H3,(H3,15,16,17,18,19);3-6,8H,7H2,1-2H3,(H3,14,15,16,17,18);3-5H,6H2,1-2H3,(H2,14,15,16,17);3-6H,7H2,1-2H3,(H2,13,14,15,16);3-7H,1-2H3,(H3,13,14,15,16,17);3-5H,1-2H3,(H2,13,14,15,16);3-6H,1-2H3,(H2,12,13,14,15);1-4H,5-6H2,(H4,12,13,14,15,16);1-4H,5H2,(H4,11,12,13,14,15);1-4H,(H4,10,11,12,13,14)
• InChIKey: ZBUHBVQIEXIQSU-UHFFFAOYSA-N
• XLogP: 24.09
• TPSA: 663.11 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2515.96
LogP ≤ 5	24.09
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?

The IUPAC name of 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine (CID 162076645) is 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine is CC(C)Nc1n[nH]c(Nc2ccccc2Cl)n1.CC(C)Nc1nc(NCCc2ccccc2Cl)n[nH]1.CC(C)Nc1nc(NCc2ccccc2Cl)n[nH]1.CN(C)c1n[nH]c(NCc2ccc(Cl)c(Cl)c2)n1.CN(C)c1n[nH]c(NCc2ccccc2Cl)n1.CN(C)c1n[nH]c(Nc2ccc(Cl)c(Cl)c2)n1.CN(C)c1n[nH]c(Nc2ccccc2Cl)n1.Nc1nc(NCCc2ccccc2Cl)n[nH]1.Nc1nc(NCc2ccccc2Cl)n[nH]1.Nc1nc(Nc2ccccc2Cl)n[nH]1.

What is the InChIKey of 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?

The InChIKey is ZBUHBVQIEXIQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5.C12H16ClN5.C11H13Cl2N5.2C11H14ClN5.C10H11Cl2N5.2C10H12ClN5.C9H10ClN5.C8H8ClN5/c1-9(2)16-13-17-12(18-19-13)15-8-7-10-5-3-4-6-11(10)14;1-8(2)15-12-16-11(17-18-12)14-7-9-5-3-4-6-10(9)13;1-18(2)11-15-10(16-17-11)14-6-7-3-4-8(12)9(13)5-7;1-17(2)11-14-10(15-16-11)13-7-8-5-3-4-6-9(8)12;1-7(2)13-10-15-11(17-16-10)14-9-6-4-3-5-8(9)12;1-17(2)10-14-9(15-16-10)13-6-3-4-7(11)8(12)5-6;1-16(2)10-13-9(14-15-10)12-8-6-4-3-5-7(8)11;11-8-4-2-1-3-7(8)5-6-13-10-14-9(12)15-16-10;10-7-4-2-1-3-6(7)5-12-9-13-8(11)14-15-9;9-5-3-1-2-4-6(5)11-8-12-7(10)13-14-8/h3-6,9H,7-8H2,1-2H3,(H3,15,16,17,18,19);3-6,8H,7H2,1-2H3,(H3,14,15,16,17,18);3-5H,6H2,1-2H3,(H2,14,15,16,17);3-6H,7H2,1-2H3,(H2,13,14,15,16);3-7H,1-2H3,(H3,13,14,15,16,17);3-5H,1-2H3,(H2,13,14,15,16);3-6H,1-2H3,(H2,12,13,14,15);1-4H,5-6H2,(H4,12,13,14,15,16);1-4H,5H2,(H4,11,12,13,14,15);1-4H,(H4,10,11,12,13,14).

What are the key properties of 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?

5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 2515.96 g/mol, XLogP of 24.09, 38 rotatable bonds, 26 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(2-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;5-N-[(2-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(2-chlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(2-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3,4-dichlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 162076645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).