7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine

C34H34ClFN10 — CID 145371916

About 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 145371916) has the molecular formula C34H34ClFN10 and a molecular weight of 637.17 g/mol. Its IUPAC name is 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine
• PubChem CID: 145371916
• Molecular Formula: C34H34ClFN10
• Molecular Weight: 637.17 g/mol
• Exact Mass: 636.26
• IUPAC Name: 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine
• SMILES: CC.CC(c1cccc(F)c1)c1cc(N)nc2n[nH]nc12.Nc1cc(C(Cc2ccccc2Cl)c2ccccc2)c2n[nH]nc2n1
• InChI: InChI=1S/C19H16ClN5.C13H12FN5.C2H6/c20-16-9-5-4-8-13(16)10-14(12-6-2-1-3-7-12)15-11-17(21)22-19-18(15)23-25-24-19;1-7(8-3-2-4-9(14)5-8)10-6-11(15)16-13-12(10)17-19-18-13;1-2/h1-9,11,14H,10H2,(H3,21,22,23,24,25);2-7H,1H3,(H3,15,16,17,18,19);1-2H3
• InChIKey: ZKICUESOXMXXSW-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 160.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.17
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?

The IUPAC name of 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 145371916) is 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine.

What is the SMILES notation for 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?

The canonical SMILES for 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine is CC.CC(c1cccc(F)c1)c1cc(N)nc2n[nH]nc12.Nc1cc(C(Cc2ccccc2Cl)c2ccccc2)c2n[nH]nc2n1.

What is the InChIKey of 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?

The InChIKey is ZKICUESOXMXXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5.C13H12FN5.C2H6/c20-16-9-5-4-8-13(16)10-14(12-6-2-1-3-7-12)15-11-17(21)22-19-18(15)23-25-24-19;1-7(8-3-2-4-9(14)5-8)10-6-11(15)16-13-12(10)17-19-18-13;1-2/h1-9,11,14H,10H2,(H3,21,22,23,24,25);2-7H,1H3,(H3,15,16,17,18,19);1-2H3.

What are the key properties of 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?

7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 637.17 g/mol, XLogP of 7.22, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(2-chlorophenyl)-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine;ethane;7-[1-(3-fluorophenyl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 145371916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).