N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide

C9H11F3N4O — CID 68854710

IUPACN-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide
SMILESCC(CC(=O)Nc1nccnc1N)C(F)(F)F
InChIInChI=1S/C9H11F3N4O/c1-5(9(10,11)12)4-6(17)16-8-7(13)14-2-3-15-8/h2-3,5H,4H2,1H3,(H2,13,14)(H,15,16,17)
InChIKeyINOGXPTWBMSPRI-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.59
Rot. Bonds3

About N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide

N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide (PubChem CID 68854710) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide
PubChem CID68854710
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC NameN-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide
SMILESCC(CC(=O)Nc1nccnc1N)C(F)(F)F
InChIInChI=1S/C9H11F3N4O/c1-5(9(10,11)12)4-6(17)16-8-7(13)14-2-3-15-8/h2-3,5H,4H2,1H3,(H2,13,14)(H,15,16,17)
InChIKeyINOGXPTWBMSPRI-UHFFFAOYSA-N
XLogP1.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide?
The IUPAC name of N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide (CID 68854710) is N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide.
What is the SMILES notation for N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide?
The canonical SMILES for N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide is CC(CC(=O)Nc1nccnc1N)C(F)(F)F.
What is the InChIKey of N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide?
The InChIKey is INOGXPTWBMSPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-5(9(10,11)12)4-6(17)16-8-7(13)14-2-3-15-8/h2-3,5H,4H2,1H3,(H2,13,14)(H,15,16,17).
What are the key properties of N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide?
N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide has a molecular weight of 248.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopyrazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide is sourced from PubChem (CID 68854710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).