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

C15H23N3O — CID 134265708

IUPAC(6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCC(C)OCc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C15H23N3O/c1-11(2)19-10-12-5-6-17-15-14(12)4-3-13-9-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1
InChIKeyZFNONDAYGNEJHH-CYBMUJFWSA-N
MW261.37 g/mol
LogP1.73
Rot. Bonds3

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

(6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265708) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265708
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCC(C)OCc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C15H23N3O/c1-11(2)19-10-12-5-6-17-15-14(12)4-3-13-9-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1
InChIKeyZFNONDAYGNEJHH-CYBMUJFWSA-N
XLogP1.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265708) is (6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is CC(C)OCc1ccnc2c1CC[C@@H]1CNCCN21.
What is the InChIKey of (6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is ZFNONDAYGNEJHH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)19-10-12-5-6-17-15-14(12)4-3-13-9-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
(6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 261.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-(propan-2-yloxymethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).