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

C14H21N3O — CID 134265642

IUPAC(6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCOCCc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C14H21N3O/c1-18-9-5-11-4-6-16-14-13(11)3-2-12-10-15-7-8-17(12)14/h4,6,12,15H,2-3,5,7-10H2,1H3/t12-/m1/s1
InChIKeyQFCTXPYSZGPYAK-GFCCVEGCSA-N
MW247.34 g/mol
LogP0.99
Rot. Bonds3

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

(6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265642) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265642
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCOCCc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C14H21N3O/c1-18-9-5-11-4-6-16-14-13(11)3-2-12-10-15-7-8-17(12)14/h4,6,12,15H,2-3,5,7-10H2,1H3/t12-/m1/s1
InChIKeyQFCTXPYSZGPYAK-GFCCVEGCSA-N
XLogP0.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265642) is (6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is COCCc1ccnc2c1CC[C@@H]1CNCCN21.
What is the InChIKey of (6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is QFCTXPYSZGPYAK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-9-5-11-4-6-16-14-13(11)3-2-12-10-15-7-8-17(12)14/h4,6,12,15H,2-3,5,7-10H2,1H3/t12-/m1/s1.
What are the key properties of (6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
(6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 247.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-(2-methoxyethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).