1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine

C9H9F6N3O — CID 102723146

IUPAC1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cncc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H9F6N3O/c1-16-2-5-3-17-4-6(18-5)19-7(8(10,11)12)9(13,14)15/h3-4,7,16H,2H2,1H3
InChIKeyRXNIGYPRMXGPBI-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.07
Rot. Bonds4

About 1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine

1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine (PubChem CID 102723146) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is 1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine
PubChem CID102723146
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC Name1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cncc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H9F6N3O/c1-16-2-5-3-17-4-6(18-5)19-7(8(10,11)12)9(13,14)15/h3-4,7,16H,2H2,1H3
InChIKeyRXNIGYPRMXGPBI-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine 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 1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine (CID 102723146) is 1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine is CNCc1cncc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine?
The InChIKey is RXNIGYPRMXGPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c1-16-2-5-3-17-4-6(18-5)19-7(8(10,11)12)9(13,14)15/h3-4,7,16H,2H2,1H3.
What are the key properties of 1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine?
1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine has a molecular weight of 289.18 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 102723146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).