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

C15H17N3S — CID 134265631

IUPAC(6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESc1csc(-c2ccnc3c2CC[C@@H]2CNCCN32)c1
InChIInChI=1S/C15H17N3S/c1-2-14(19-9-1)12-5-6-17-15-13(12)4-3-11-10-16-7-8-18(11)15/h1-2,5-6,9,11,16H,3-4,7-8,10H2/t11-/m1/s1
InChIKeyNGKUAOULJGPXCE-LLVKDONJSA-N
MW271.39 g/mol
LogP2.53
Rot. Bonds1

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

(6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265631) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is (6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265631
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name(6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESc1csc(-c2ccnc3c2CC[C@@H]2CNCCN32)c1
InChIInChI=1S/C15H17N3S/c1-2-14(19-9-1)12-5-6-17-15-13(12)4-3-11-10-16-7-8-18(11)15/h1-2,5-6,9,11,16H,3-4,7-8,10H2/t11-/m1/s1
InChIKeyNGKUAOULJGPXCE-LLVKDONJSA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265631) is (6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is c1csc(-c2ccnc3c2CC[C@@H]2CNCCN32)c1.
What is the InChIKey of (6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is NGKUAOULJGPXCE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3S/c1-2-14(19-9-1)12-5-6-17-15-13(12)4-3-11-10-16-7-8-18(11)15/h1-2,5-6,9,11,16H,3-4,7-8,10H2/t11-/m1/s1.
What are the key properties of (6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
(6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 271.39 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-thiophen-2-yl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).