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

C12H17N3 — CID 134265831

IUPAC(6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C12H17N3/c1-9-4-5-14-12-11(9)3-2-10-8-13-6-7-15(10)12/h4-5,10,13H,2-3,6-8H2,1H3/t10-/m1/s1
InChIKeyWCZLKBAQARPHLD-SNVBAGLBSA-N
MW203.29 g/mol
LogP1.11
Rot. Bonds

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

(6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265831) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265831
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESCc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C12H17N3/c1-9-4-5-14-12-11(9)3-2-10-8-13-6-7-15(10)12/h4-5,10,13H,2-3,6-8H2,1H3/t10-/m1/s1
InChIKeyWCZLKBAQARPHLD-SNVBAGLBSA-N
XLogP1.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265831) is (6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is Cc1ccnc2c1CC[C@@H]1CNCCN21.
What is the InChIKey of (6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is WCZLKBAQARPHLD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-4-5-14-12-11(9)3-2-10-8-13-6-7-15(10)12/h4-5,10,13H,2-3,6-8H2,1H3/t10-/m1/s1.
What are the key properties of (6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
(6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 203.29 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).