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

C12H13F3N4O — CID 176786633

IUPAC(1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@@]12C[C@@H](C(=O)Nc3cncc(C(F)(F)F)n3)N[C@@H]1C2
InChIInChI=1S/C12H13F3N4O/c1-11-2-6(17-7(11)3-11)10(20)19-9-5-16-4-8(18-9)12(13,14)15/h4-7,17H,2-3H2,1H3,(H,18,19,20)/t6-,7+,11-/m0/s1
InChIKeyVBVUUGFCUMUXPI-CVJICSNFSA-N
MW286.26 g/mol
LogP1.57
Rot. Bonds2

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

(1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 176786633) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is (1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID176786633
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name(1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@@]12C[C@@H](C(=O)Nc3cncc(C(F)(F)F)n3)N[C@@H]1C2
InChIInChI=1S/C12H13F3N4O/c1-11-2-6(17-7(11)3-11)10(20)19-9-5-16-4-8(18-9)12(13,14)15/h4-7,17H,2-3H2,1H3,(H,18,19,20)/t6-,7+,11-/m0/s1
InChIKeyVBVUUGFCUMUXPI-CVJICSNFSA-N
XLogP1.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 176786633) is (1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is C[C@@]12C[C@@H](C(=O)Nc3cncc(C(F)(F)F)n3)N[C@@H]1C2.
What is the InChIKey of (1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is VBVUUGFCUMUXPI-CVJICSNFSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-11-2-6(17-7(11)3-11)10(20)19-9-5-16-4-8(18-9)12(13,14)15/h4-7,17H,2-3H2,1H3,(H,18,19,20)/t6-,7+,11-/m0/s1.
What are the key properties of (1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 286.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 176786633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).