3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine

C68H44Cl3F3N26 — CID 158155929

About 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine

3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine (PubChem CID 158155929) has the molecular formula C68H44Cl3F3N26 and a molecular weight of 1388.63 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine
• PubChem CID: 158155929
• Molecular Formula: C68H44Cl3F3N26
• Molecular Weight: 1388.63 g/mol
• Exact Mass: 1386.33
• IUPAC Name: 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine
• SMILES: Cc1ccc(-c2cnnc(Nc3n[nH]c4ccccc34)n2)c(C#N)c1.Clc1ccc(-c2cnnc(Nc3n[nH]c4ccccc34)n2)c(Cl)c1.FC(F)(F)c1ccccc1-c1cnnc(Nc2n[nH]c3ccccc23)n1.N#Cc1nnc(-c2ccccc2Cl)nc1Nc1n[nH]c2ccccc12
• InChI: InChI=1S/C18H13N7.C17H10ClN7.C17H11F3N6.C16H10Cl2N6/c1-11-6-7-13(12(8-11)9-19)16-10-20-25-18(21-16)22-17-14-4-2-3-5-15(14)23-24-17;18-12-7-3-1-5-10(12)15-20-17(14(9-19)23-24-15)21-16-11-6-2-4-8-13(11)22-25-16;18-17(19,20)12-7-3-1-5-10(12)14-9-21-26-16(22-14)23-15-11-6-2-4-8-13(11)24-25-15;17-9-5-6-10(12(18)7-9)14-8-19-24-16(20-14)21-15-11-3-1-2-4-13(11)22-23-15/h2-8,10H,1H3,(H2,21,22,23,24,25);1-8H,(H2,20,21,22,24,25);1-9H,(H2,22,23,24,25,26);1-8H,(H2,20,21,22,23,24)
• InChIKey: FVRLNQRYCZSLRR-UHFFFAOYSA-N
• XLogP: 15.66
• TPSA: 365.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1388.63
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine?

The IUPAC name of 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine (CID 158155929) is 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine.

What is the SMILES notation for 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine?

The canonical SMILES for 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine is Cc1ccc(-c2cnnc(Nc3n[nH]c4ccccc34)n2)c(C#N)c1.Clc1ccc(-c2cnnc(Nc3n[nH]c4ccccc34)n2)c(Cl)c1.FC(F)(F)c1ccccc1-c1cnnc(Nc2n[nH]c3ccccc23)n1.N#Cc1nnc(-c2ccccc2Cl)nc1Nc1n[nH]c2ccccc12.

What is the InChIKey of 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine?

The InChIKey is FVRLNQRYCZSLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7.C17H10ClN7.C17H11F3N6.C16H10Cl2N6/c1-11-6-7-13(12(8-11)9-19)16-10-20-25-18(21-16)22-17-14-4-2-3-5-15(14)23-24-17;18-12-7-3-1-5-10(12)15-20-17(14(9-19)23-24-15)21-16-11-6-2-4-8-13(11)22-25-16;18-17(19,20)12-7-3-1-5-10(12)14-9-21-26-16(22-14)23-15-11-6-2-4-8-13(11)24-25-15;17-9-5-6-10(12(18)7-9)14-8-19-24-16(20-14)21-15-11-3-1-2-4-13(11)22-23-15/h2-8,10H,1H3,(H2,21,22,23,24,25);1-8H,(H2,20,21,22,24,25);1-9H,(H2,22,23,24,25,26);1-8H,(H2,20,21,22,23,24).

What are the key properties of 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine?

3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine has a molecular weight of 1388.63 g/mol, XLogP of 15.66, 12 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-5-(1H-indazol-3-ylamino)-1,2,4-triazine-6-carbonitrile;N-[5-(2,4-dichlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;2-[3-(1H-indazol-3-ylamino)-1,2,4-triazin-5-yl]-5-methylbenzonitrile;N-[5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine is sourced from PubChem (CID 158155929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).