6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine

C17H17F2N7S — CID 67460912

About 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine

6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine (PubChem CID 67460912) has the molecular formula C17H17F2N7S and a molecular weight of 389.44 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine.

Molecular Properties

• Compound Name: 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine
• PubChem CID: 67460912
• Molecular Formula: C17H17F2N7S
• Molecular Weight: 389.44 g/mol
• Exact Mass: 389.12
• IUPAC Name: 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine
• SMILES: NCc1cnc(-c2cnc(NCC3(c4ncccc4F)CC(F)C3)nn2)s1
• InChI: InChI=1S/C17H17F2N7S/c18-10-4-17(5-10,14-12(19)2-1-3-21-14)9-24-16-23-8-13(25-26-16)15-22-7-11(6-20)27-15/h1-3,7-8,10H,4-6,9,20H2,(H,23,24,26)
• InChIKey: JTJMDCZARQXHLN-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 102.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.44
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine?

The IUPAC name of 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine (CID 67460912) is 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine.

What is the SMILES notation for 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine?

The canonical SMILES for 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine is NCc1cnc(-c2cnc(NCC3(c4ncccc4F)CC(F)C3)nn2)s1.

What is the InChIKey of 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine?

The InChIKey is JTJMDCZARQXHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7S/c18-10-4-17(5-10,14-12(19)2-1-3-21-14)9-24-16-23-8-13(25-26-16)15-22-7-11(6-20)27-15/h1-3,7-8,10H,4-6,9,20H2,(H,23,24,26).

What are the key properties of 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine?

6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine has a molecular weight of 389.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 67460912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).