2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile

C10H13F3N6 — CID 64580575

About 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile

2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile (PubChem CID 64580575) has the molecular formula C10H13F3N6 and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile.

Molecular Properties

• Compound Name: 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile
• PubChem CID: 64580575
• Molecular Formula: C10H13F3N6
• Molecular Weight: 274.25 g/mol
• Exact Mass: 274.12
• IUPAC Name: 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile
• SMILES: CC(N)(C#N)CN1CCn2c(nnc2C(F)(F)F)C1
• InChI: InChI=1S/C10H13F3N6/c1-9(15,5-14)6-18-2-3-19-7(4-18)16-17-8(19)10(11,12)13/h2-4,6,15H2,1H3
• InChIKey: FTDCWIOQAIIZAN-UHFFFAOYSA-N
• XLogP: 0.35
• TPSA: 83.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.25
LogP ≤ 5	0.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile?

The IUPAC name of 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile (CID 64580575) is 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile.

What is the SMILES notation for 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile?

The canonical SMILES for 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile is CC(N)(C#N)CN1CCn2c(nnc2C(F)(F)F)C1.

What is the InChIKey of 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile?

The InChIKey is FTDCWIOQAIIZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6/c1-9(15,5-14)6-18-2-3-19-7(4-18)16-17-8(19)10(11,12)13/h2-4,6,15H2,1H3.

What are the key properties of 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile?

2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile has a molecular weight of 274.25 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanenitrile is sourced from PubChem (CID 64580575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).