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

C11H14ClN3 — CID 134265669

IUPAC(6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESClc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C11H14ClN3/c12-10-3-4-14-11-9(10)2-1-8-7-13-5-6-15(8)11/h3-4,8,13H,1-2,5-7H2/t8-/m1/s1
InChIKeyXNITVWNCNFQVDG-MRVPVSSYSA-N
MW223.71 g/mol
LogP1.46
Rot. Bonds

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

(6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265669) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is (6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265669
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name(6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESClc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C11H14ClN3/c12-10-3-4-14-11-9(10)2-1-8-7-13-5-6-15(8)11/h3-4,8,13H,1-2,5-7H2/t8-/m1/s1
InChIKeyXNITVWNCNFQVDG-MRVPVSSYSA-N
XLogP1.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-((4-chlorophenyl)methyl)pyridin-2-amine
CID 89881
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
1-(Piperazin-1-yl)isoquinoline
CID 15887436
(6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265616
(6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265620
(6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265627
(R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265727
(R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265828
(4-Chloro-benzyl)-(4-methyl-pyridin-2-yl)-amine
CID 975620
N-p-Chlorobenzyl-N',N'-dimethyl-N-2-pyridylethylenediamine hydrochloride
CID 25294
1,2,3,4-Tetrahydro-1,8-naphthyridine
CID 13047367

Frequently Asked Questions

What is the IUPAC name of (6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265669) is (6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is Clc1ccnc2c1CC[C@@H]1CNCCN21.
What is the InChIKey of (6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is XNITVWNCNFQVDG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-10-3-4-14-11-9(10)2-1-8-7-13-5-6-15(8)11/h3-4,8,13H,1-2,5-7H2/t8-/m1/s1.
What are the key properties of (6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
(6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 223.71 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).