N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine

C69H71F6N27 — CID 158195493

About N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine

N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine (PubChem CID 158195493) has the molecular formula C69H71F6N27 and a molecular weight of 1392.50 g/mol. Its IUPAC name is N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine.

Molecular Properties

• Compound Name: N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine
• PubChem CID: 158195493
• Molecular Formula: C69H71F6N27
• Molecular Weight: 1392.50 g/mol
• Exact Mass: 1391.63
• IUPAC Name: N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine
• SMILES: CCc1cc(Nc2nncc(-n3ccnc3)n2)n[nH]1.FC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)nnc1NCCN1CCCCC1.FC(F)(F)c1ccccc1-c1cnnc(Nc2n[nH]c3ccccc23)c1.c1nnc(Nc2cc(C3CCCC3)[nH]n2)nc1N1CCCC1
• InChI: InChI=1S/C25H26F3N7.C18H12F3N5.C15H21N7.C11H12N8/c26-25(27,28)20-10-4-2-8-17(20)19-16-22(30-24-18-9-3-5-11-21(18)31-34-24)32-33-23(19)29-12-15-35-13-6-1-7-14-35;19-18(20,21)14-7-3-1-5-12(14)11-9-16(25-22-10-11)23-17-13-6-2-4-8-15(13)24-26-17;1-2-6-11(5-1)12-9-13(20-19-12)17-15-18-14(10-16-21-15)22-7-3-4-8-22;1-2-8-5-9(17-16-8)14-11-15-10(6-13-18-11)19-4-3-12-7-19/h2-5,8-11,16H,1,6-7,12-15H2,(H,29,33)(H2,30,31,32,34);1-10H,(H2,23,24,25,26);9-11H,1-8H2,(H2,17,18,19,20,21);3-7H,2H2,1H3,(H2,14,15,16,17,18)
• InChIKey: GAHFUKJFPSODTH-UHFFFAOYSA-N
• XLogP: 14.14
• TPSA: 328.07 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1392.50
LogP ≤ 5	14.14
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?

The IUPAC name of N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine (CID 158195493) is N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine.

What is the SMILES notation for N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?

The canonical SMILES for N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine is CCc1cc(Nc2nncc(-n3ccnc3)n2)n[nH]1.FC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)nnc1NCCN1CCCCC1.FC(F)(F)c1ccccc1-c1cnnc(Nc2n[nH]c3ccccc23)c1.c1nnc(Nc2cc(C3CCCC3)[nH]n2)nc1N1CCCC1.

What is the InChIKey of N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?

The InChIKey is GAHFUKJFPSODTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7.C18H12F3N5.C15H21N7.C11H12N8/c26-25(27,28)20-10-4-2-8-17(20)19-16-22(30-24-18-9-3-5-11-21(18)31-34-24)32-33-23(19)29-12-15-35-13-6-1-7-14-35;19-18(20,21)14-7-3-1-5-12(14)11-9-16(25-22-10-11)23-17-13-6-2-4-8-15(13)24-26-17;1-2-6-11(5-1)12-9-13(20-19-12)17-15-18-14(10-16-21-15)22-7-3-4-8-22;1-2-8-5-9(17-16-8)14-11-15-10(6-13-18-11)19-4-3-12-7-19/h2-5,8-11,16H,1,6-7,12-15H2,(H,29,33)(H2,30,31,32,34);1-10H,(H2,23,24,25,26);9-11H,1-8H2,(H2,17,18,19,20,21);3-7H,2H2,1H3,(H2,14,15,16,17,18).

What are the key properties of N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?

N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine has a molecular weight of 1392.50 g/mol, XLogP of 14.14, 18 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine is sourced from PubChem (CID 158195493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).