(1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride

C11H14ClF3N4 — CID 90411275

IUPAC(1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2N3)cn1
InChIInChI=1S/C11H13F3N4.ClH/c12-11(13,14)9-4-16-10(5-15-9)18-8-3-6-1-2-7(8)17-6;/h4-8,17H,1-3H2,(H,16,18);1H/t6-,7+,8-;/m1./s1
InChIKeyTVWCRVYXCVSNBU-ARIDFIBWSA-N
MW294.71 g/mol
LogP2.22
Rot. Bonds2

About (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride

(1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride (PubChem CID 90411275) has the molecular formula C11H14ClF3N4 and a molecular weight of 294.71 g/mol. Its IUPAC name is (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride.

Molecular Properties

Compound Name(1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride
PubChem CID90411275
Molecular FormulaC11H14ClF3N4
Molecular Weight294.71 g/mol
Exact Mass294.09
IUPAC Name(1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2N3)cn1
InChIInChI=1S/C11H13F3N4.ClH/c12-11(13,14)9-4-16-10(5-15-9)18-8-3-6-1-2-7(8)17-6;/h4-8,17H,1-3H2,(H,16,18);1H/t6-,7+,8-;/m1./s1
InChIKeyTVWCRVYXCVSNBU-ARIDFIBWSA-N
XLogP2.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride 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 (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride?
The IUPAC name of (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride (CID 90411275) is (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride.
What is the SMILES notation for (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride?
The canonical SMILES for (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride is Cl.FC(F)(F)c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2N3)cn1.
What is the InChIKey of (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride?
The InChIKey is TVWCRVYXCVSNBU-ARIDFIBWSA-N. The full InChI is InChI=1S/C11H13F3N4.ClH/c12-11(13,14)9-4-16-10(5-15-9)18-8-3-6-1-2-7(8)17-6;/h4-8,17H,1-3H2,(H,16,18);1H/t6-,7+,8-;/m1./s1.
What are the key properties of (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride?
(1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride has a molecular weight of 294.71 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;hydrochloride is sourced from PubChem (CID 90411275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).