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

C14H21N3 — CID 134265828

IUPAC(6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCCCc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C14H21N3/c1-2-3-11-6-7-16-14-13(11)5-4-12-10-15-8-9-17(12)14/h6-7,12,15H,2-5,8-10H2,1H3/t12-/m1/s1
InChIKeyXAZGRAYUJBLSIW-GFCCVEGCSA-N
MW231.34 g/mol
LogP1.76
Rot. Bonds2

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

(6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265828) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265828
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCCCc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C14H21N3/c1-2-3-11-6-7-16-14-13(11)5-4-12-10-15-8-9-17(12)14/h6-7,12,15H,2-5,8-10H2,1H3/t12-/m1/s1
InChIKeyXAZGRAYUJBLSIW-GFCCVEGCSA-N
XLogP1.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265828) is (6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is CCCc1ccnc2c1CC[C@@H]1CNCCN21.
What is the InChIKey of (6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is XAZGRAYUJBLSIW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-3-11-6-7-16-14-13(11)5-4-12-10-15-8-9-17(12)14/h6-7,12,15H,2-5,8-10H2,1H3/t12-/m1/s1.
What are the key properties of (6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
(6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 231.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).