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

C16H25N3 — CID 134265622

IUPAC(6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCC(C)(C)Cc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C16H25N3/c1-16(2,3)10-12-6-7-18-15-14(12)5-4-13-11-17-8-9-19(13)15/h6-7,13,17H,4-5,8-11H2,1-3H3/t13-/m1/s1
InChIKeyIGPVFLAKJJQRDS-CYBMUJFWSA-N
MW259.40 g/mol
LogP2.39
Rot. Bonds1

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

(6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265622) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265622
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCC(C)(C)Cc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C16H25N3/c1-16(2,3)10-12-6-7-18-15-14(12)5-4-13-11-17-8-9-19(13)15/h6-7,13,17H,4-5,8-11H2,1-3H3/t13-/m1/s1
InChIKeyIGPVFLAKJJQRDS-CYBMUJFWSA-N
XLogP2.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265622) is (6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is CC(C)(C)Cc1ccnc2c1CC[C@@H]1CNCCN21.
What is the InChIKey of (6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is IGPVFLAKJJQRDS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3/c1-16(2,3)10-12-6-7-18-15-14(12)5-4-13-11-17-8-9-19(13)15/h6-7,13,17H,4-5,8-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
(6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 259.40 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-(2,2-dimethylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).