(1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C11H11F3N4O — CID 166517793

IUPAC(1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)n1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)8-3-15-4-9(17-8)18-10(19)7-2-5-1-6(5)16-7/h3-7,16H,1-2H2,(H,17,18,19)/t5-,6-,7+/m1/s1
InChIKeyCEOUCGPVMPJBEP-QYNIQEEDSA-N
MW272.23 g/mol
LogP1.18
Rot. Bonds2

About (1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 166517793) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is (1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID166517793
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name(1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)n1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)8-3-15-4-9(17-8)18-10(19)7-2-5-1-6(5)16-7/h3-7,16H,1-2H2,(H,17,18,19)/t5-,6-,7+/m1/s1
InChIKeyCEOUCGPVMPJBEP-QYNIQEEDSA-N
XLogP1.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 166517793) is (1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1cncc(C(F)(F)F)n1)[C@@H]1C[C@H]2C[C@H]2N1.
What is the InChIKey of (1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is CEOUCGPVMPJBEP-QYNIQEEDSA-N. The full InChI is InChI=1S/C11H11F3N4O/c12-11(13,14)8-3-15-4-9(17-8)18-10(19)7-2-5-1-6(5)16-7/h3-7,16H,1-2H2,(H,17,18,19)/t5-,6-,7+/m1/s1.
What are the key properties of (1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 272.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 166517793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).