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

C10H13F3N6O2 — CID 64574831

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

3-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanamide (PubChem CID 64574831) has the molecular formula C10H13F3N6O2 and a molecular weight of 306.25 g/mol. Its IUPAC name is 3-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanamide.

Molecular Properties

• Compound Name: 3-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanamide
• PubChem CID: 64574831
• Molecular Formula: C10H13F3N6O2
• Molecular Weight: 306.25 g/mol
• Exact Mass: 306.11
• IUPAC Name: 3-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanamide
• SMILES: NC(=O)CC(N)C(=O)N1CCn2c(nnc2C(F)(F)F)C1
• InChI: InChI=1S/C10H13F3N6O2/c11-10(12,13)9-17-16-7-4-18(1-2-19(7)9)8(21)5(14)3-6(15)20/h5H,1-4,14H2,(H2,15,20)
• InChIKey: SFUJFJHQRQERKZ-UHFFFAOYSA-N
• XLogP: -1.16
• TPSA: 120.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.25
LogP ≤ 5	-1.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanamide (CID 64574831) is 3-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanamide.

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

The canonical SMILES for 3-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanamide is NC(=O)CC(N)C(=O)N1CCn2c(nnc2C(F)(F)F)C1.

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

The InChIKey is SFUJFJHQRQERKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6O2/c11-10(12,13)9-17-16-7-4-18(1-2-19(7)9)8(21)5(14)3-6(15)20/h5H,1-4,14H2,(H2,15,20).

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

3-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanamide has a molecular weight of 306.25 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanamide is sourced from PubChem (CID 64574831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).