6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine

C9H13F3N4 — CID 90391845

IUPAC6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine
SMILESCC[C@H](C)Nc1cnc(C(F)(F)F)c(N)n1
InChIInChI=1S/C9H13F3N4/c1-3-5(2)15-6-4-14-7(8(13)16-6)9(10,11)12/h4-5H,3H2,1-2H3,(H3,13,15,16)/t5-/m0/s1
InChIKeyQCPGRRQHIODBFT-YFKPBYRVSA-N
MW234.22 g/mol
LogP2.29
Rot. Bonds3

About 6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine

6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine (PubChem CID 90391845) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine
PubChem CID90391845
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine
SMILESCC[C@H](C)Nc1cnc(C(F)(F)F)c(N)n1
InChIInChI=1S/C9H13F3N4/c1-3-5(2)15-6-4-14-7(8(13)16-6)9(10,11)12/h4-5H,3H2,1-2H3,(H3,13,15,16)/t5-/m0/s1
InChIKeyQCPGRRQHIODBFT-YFKPBYRVSA-N
XLogP2.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine (CID 90391845) is 6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine is CC[C@H](C)Nc1cnc(C(F)(F)F)c(N)n1.
What is the InChIKey of 6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine?
The InChIKey is QCPGRRQHIODBFT-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-3-5(2)15-6-4-14-7(8(13)16-6)9(10,11)12/h4-5H,3H2,1-2H3,(H3,13,15,16)/t5-/m0/s1.
What are the key properties of 6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine?
6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 90391845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).