(6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine

C20H25N3 — CID 134265745

IUPAC(6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCCc1c(Cc2ccccc2)cnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C20H25N3/c1-2-18-16(12-15-6-4-3-5-7-15)13-22-20-19(18)9-8-17-14-21-10-11-23(17)20/h3-7,13,17,21H,2,8-12,14H2,1H3/t17-/m1/s1
InChIKeyNZMUSZUGSVODII-QGZVFWFLSA-N
MW307.44 g/mol
LogP2.96
Rot. Bonds3

About (6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine

(6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265745) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is (6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265745
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name(6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCCc1c(Cc2ccccc2)cnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C20H25N3/c1-2-18-16(12-15-6-4-3-5-7-15)13-22-20-19(18)9-8-17-14-21-10-11-23(17)20/h3-7,13,17,21H,2,8-12,14H2,1H3/t17-/m1/s1
InChIKeyNZMUSZUGSVODII-QGZVFWFLSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265745) is (6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is CCc1c(Cc2ccccc2)cnc2c1CC[C@@H]1CNCCN21.
What is the InChIKey of (6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is NZMUSZUGSVODII-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3/c1-2-18-16(12-15-6-4-3-5-7-15)13-22-20-19(18)9-8-17-14-21-10-11-23(17)20/h3-7,13,17,21H,2,8-12,14H2,1H3/t17-/m1/s1.
What are the key properties of (6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
(6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 307.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).