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

C18H21N3 — CID 134265735

IUPAC(6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine
SMILESc1ccc(Cc2cncc3c2CC[C@@H]2CNCCN32)cc1
InChIInChI=1S/C18H21N3/c1-2-4-14(5-3-1)10-15-11-20-13-18-17(15)7-6-16-12-19-8-9-21(16)18/h1-5,11,13,16,19H,6-10,12H2/t16-/m1/s1
InChIKeyYEAATRDZIJRTNR-MRXNPFEDSA-N
MW279.39 g/mol
LogP2.40
Rot. Bonds2

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

(6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine (PubChem CID 134265735) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is (6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine.

Molecular Properties

Compound Name(6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine
PubChem CID134265735
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name(6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine
SMILESc1ccc(Cc2cncc3c2CC[C@@H]2CNCCN32)cc1
InChIInChI=1S/C18H21N3/c1-2-4-14(5-3-1)10-15-11-20-13-18-17(15)7-6-16-12-19-8-9-21(16)18/h1-5,11,13,16,19H,6-10,12H2/t16-/m1/s1
InChIKeyYEAATRDZIJRTNR-MRXNPFEDSA-N
XLogP2.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine?
The IUPAC name of (6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine (CID 134265735) is (6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine.
What is the SMILES notation for (6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine?
The canonical SMILES for (6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine is c1ccc(Cc2cncc3c2CC[C@@H]2CNCCN32)cc1.
What is the InChIKey of (6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine?
The InChIKey is YEAATRDZIJRTNR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-4-14(5-3-1)10-15-11-20-13-18-17(15)7-6-16-12-19-8-9-21(16)18/h1-5,11,13,16,19H,6-10,12H2/t16-/m1/s1.
What are the key properties of (6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine?
(6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine has a molecular weight of 279.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine is sourced from PubChem (CID 134265735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).