N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine

C13H22F3N5 — CID 64576661

About N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine

N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine (PubChem CID 64576661) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine.

Molecular Properties

• Compound Name: N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine
• PubChem CID: 64576661
• Molecular Formula: C13H22F3N5
• Molecular Weight: 305.35 g/mol
• Exact Mass: 305.18
• IUPAC Name: N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine
• SMILES: CCCNC(CC)CN1CCn2c(nnc2C(F)(F)F)C1
• InChI: InChI=1S/C13H22F3N5/c1-3-5-17-10(4-2)8-20-6-7-21-11(9-20)18-19-12(21)13(14,15)16/h10,17H,3-9H2,1-2H3
• InChIKey: YJWXXRPJLXEERG-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.35
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine (CID 64576661) is N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine.

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

The canonical SMILES for N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine is CCCNC(CC)CN1CCn2c(nnc2C(F)(F)F)C1.

What is the InChIKey of N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine?

The InChIKey is YJWXXRPJLXEERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-3-5-17-10(4-2)8-20-6-7-21-11(9-20)18-19-12(21)13(14,15)16/h10,17H,3-9H2,1-2H3.

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

N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine has a molecular weight of 305.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-propyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine is sourced from PubChem (CID 64576661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).