(6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine

C15H20F3N3 — CID 134265785

IUPAC(6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine
SMILESCN1CCN2c3nccc(CCC(F)(F)F)c3CC[C@@H]2C1
InChIInChI=1S/C15H20F3N3/c1-20-8-9-21-12(10-20)2-3-13-11(4-6-15(16,17)18)5-7-19-14(13)21/h5,7,12H,2-4,6,8-10H2,1H3/t12-/m1/s1
InChIKeyNKJPAVXIMYLJDE-GFCCVEGCSA-N
MW299.34 g/mol
LogP2.64
Rot. Bonds2

About (6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine

(6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265785) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is (6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265785
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name(6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine
SMILESCN1CCN2c3nccc(CCC(F)(F)F)c3CC[C@@H]2C1
InChIInChI=1S/C15H20F3N3/c1-20-8-9-21-12(10-20)2-3-13-11(4-6-15(16,17)18)5-7-19-14(13)21/h5,7,12H,2-4,6,8-10H2,1H3/t12-/m1/s1
InChIKeyNKJPAVXIMYLJDE-GFCCVEGCSA-N
XLogP2.64
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine (CID 134265785) is (6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine is CN1CCN2c3nccc(CCC(F)(F)F)c3CC[C@@H]2C1.
What is the InChIKey of (6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is NKJPAVXIMYLJDE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-20-8-9-21-12(10-20)2-3-13-11(4-6-15(16,17)18)5-7-19-14(13)21/h5,7,12H,2-4,6,8-10H2,1H3/t12-/m1/s1.
What are the key properties of (6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine?
(6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 299.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-8-methyl-4-(3,3,3-trifluoropropyl)-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).