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

C84H100Cl12N40 — CID 157408851

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

5-N-(3-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[2-(3-chlorophenyl)ethyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3,4-dichlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 157408851) has the molecular formula C84H100Cl12N40 and a molecular weight of 2095.44 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[2-(3-chlorophenyl)ethyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3,4-dichlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 5-N-(3-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[2-(3-chlorophenyl)ethyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3,4-dichlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine
• PubChem CID: 157408851
• Molecular Formula: C84H100Cl12N40
• Molecular Weight: 2095.44 g/mol
• Exact Mass: 2088.53
• IUPAC Name: 5-N-(3-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[2-(3-chlorophenyl)ethyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3,4-dichlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine
• SMILES: CC(C)Nc1n[nH]c(Nc2ccc(Cl)c(Cl)c2)n1.CC(C)Nc1nc(NCCc2cccc(Cl)c2)n[nH]1.CN(C)c1n[nH]c(NCCc2cccc(Cl)c2)n1.CN(C)c1n[nH]c(NCc2cccc(Cl)c2)n1.CN(C)c1n[nH]c(Nc2cccc(Cl)c2)n1.Nc1nc(NCCc2ccc(Cl)c(Cl)c2)n[nH]1.Nc1nc(NCc2ccc(Cl)c(Cl)c2)n[nH]1.Nc1nc(Nc2ccc(Cl)c(Cl)c2)n[nH]1
• InChI: InChI=1S/C13H18ClN5.C12H16ClN5.C11H13Cl2N5.C11H14ClN5.C10H11Cl2N5.C10H12ClN5.C9H9Cl2N5.C8H7Cl2N5/c1-9(2)16-13-17-12(18-19-13)15-7-6-10-4-3-5-11(14)8-10;1-18(2)12-15-11(16-17-12)14-7-6-9-4-3-5-10(13)8-9;1-6(2)14-10-16-11(18-17-10)15-7-3-4-8(12)9(13)5-7;1-17(2)11-14-10(15-16-11)13-7-8-4-3-5-9(12)6-8;11-7-2-1-6(5-8(7)12)3-4-14-10-15-9(13)16-17-10;1-16(2)10-13-9(14-15-10)12-8-5-3-4-7(11)6-8;10-6-2-1-5(3-7(6)11)4-13-9-14-8(12)15-16-9;9-5-2-1-4(3-6(5)10)12-8-13-7(11)14-15-8/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16,17,18,19);3-5,8H,6-7H2,1-2H3,(H2,14,15,16,17);3-6H,1-2H3,(H3,14,15,16,17,18);3-6H,7H2,1-2H3,(H2,13,14,15,16);1-2,5H,3-4H2,(H4,13,14,15,16,17);3-6H,1-2H3,(H2,12,13,14,15);1-3H,4H2,(H4,12,13,14,15,16);1-3H,(H4,11,12,13,14,15)
• InChIKey: BOAUPTIOSSGPPQ-UHFFFAOYSA-N
• XLogP: 20.28
• TPSA: 540.64 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2095.44
LogP ≤ 5	20.28
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 5-N-(3-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[2-(3-chlorophenyl)ethyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3,4-dichlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine (CID 157408851) is 5-N-(3-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[2-(3-chlorophenyl)ethyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3,4-dichlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine.

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

The canonical SMILES for 5-N-(3-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[2-(3-chlorophenyl)ethyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3,4-dichlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine is CC(C)Nc1n[nH]c(Nc2ccc(Cl)c(Cl)c2)n1.CC(C)Nc1nc(NCCc2cccc(Cl)c2)n[nH]1.CN(C)c1n[nH]c(NCCc2cccc(Cl)c2)n1.CN(C)c1n[nH]c(NCc2cccc(Cl)c2)n1.CN(C)c1n[nH]c(Nc2cccc(Cl)c2)n1.Nc1nc(NCCc2ccc(Cl)c(Cl)c2)n[nH]1.Nc1nc(NCc2ccc(Cl)c(Cl)c2)n[nH]1.Nc1nc(Nc2ccc(Cl)c(Cl)c2)n[nH]1.

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

The InChIKey is BOAUPTIOSSGPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5.C12H16ClN5.C11H13Cl2N5.C11H14ClN5.C10H11Cl2N5.C10H12ClN5.C9H9Cl2N5.C8H7Cl2N5/c1-9(2)16-13-17-12(18-19-13)15-7-6-10-4-3-5-11(14)8-10;1-18(2)12-15-11(16-17-12)14-7-6-9-4-3-5-10(13)8-9;1-6(2)14-10-16-11(18-17-10)15-7-3-4-8(12)9(13)5-7;1-17(2)11-14-10(15-16-11)13-7-8-4-3-5-9(12)6-8;11-7-2-1-6(5-8(7)12)3-4-14-10-15-9(13)16-17-10;1-16(2)10-13-9(14-15-10)12-8-5-3-4-7(11)6-8;10-6-2-1-5(3-7(6)11)4-13-9-14-8(12)15-16-9;9-5-2-1-4(3-6(5)10)12-8-13-7(11)14-15-8/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16,17,18,19);3-5,8H,6-7H2,1-2H3,(H2,14,15,16,17);3-6H,1-2H3,(H3,14,15,16,17,18);3-6H,7H2,1-2H3,(H2,13,14,15,16);1-2,5H,3-4H2,(H4,13,14,15,16,17);3-6H,1-2H3,(H2,12,13,14,15);1-3H,4H2,(H4,12,13,14,15,16);1-3H,(H4,11,12,13,14,15).

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

5-N-(3-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[2-(3-chlorophenyl)ethyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3,4-dichlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 2095.44 g/mol, XLogP of 20.28, 31 rotatable bonds, 21 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(3-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-[2-(3-chlorophenyl)ethyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3-chlorophenyl)ethyl]-5-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;5-N-[(3-chlorophenyl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(3,4-dichlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine;5-N-(3,4-dichlorophenyl)-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 157408851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).