(6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine

C17H25N3O — CID 134265823

IUPAC(6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESc1cc(CC2CCCCO2)c2c(n1)N1CCNC[C@H]1CC2
InChIInChI=1S/C17H25N3O/c1-2-10-21-15(3-1)11-13-6-7-19-17-16(13)5-4-14-12-18-8-9-20(14)17/h6-7,14-15,18H,1-5,8-12H2/t14-,15?/m1/s1
InChIKeyMMTJSSRLSCOMQV-GICMACPYSA-N
MW287.41 g/mol
LogP1.92
Rot. Bonds2

About (6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine

(6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265823) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265823
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESc1cc(CC2CCCCO2)c2c(n1)N1CCNC[C@H]1CC2
InChIInChI=1S/C17H25N3O/c1-2-10-21-15(3-1)11-13-6-7-19-17-16(13)5-4-14-12-18-8-9-20(14)17/h6-7,14-15,18H,1-5,8-12H2/t14-,15?/m1/s1
InChIKeyMMTJSSRLSCOMQV-GICMACPYSA-N
XLogP1.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265823) is (6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is c1cc(CC2CCCCO2)c2c(n1)N1CCNC[C@H]1CC2.
What is the InChIKey of (6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is MMTJSSRLSCOMQV-GICMACPYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-10-21-15(3-1)11-13-6-7-19-17-16(13)5-4-14-12-18-8-9-20(14)17/h6-7,14-15,18H,1-5,8-12H2/t14-,15?/m1/s1.
What are the key properties of (6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
(6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 287.41 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-(oxan-2-ylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).