2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine

C11H15N3 — CID 134265703

IUPAC2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine
SMILESc1cc2c(cn1)CCC1CNCCN21
InChIInChI=1S/C11H15N3/c1-2-10-8-13-5-6-14(10)11-3-4-12-7-9(1)11/h3-4,7,10,13H,1-2,5-6,8H2
InChIKeyRHUYPYGEUQRZCB-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.81
Rot. Bonds

About 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine

2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine (PubChem CID 134265703) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine.

Molecular Properties

Compound Name2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine
PubChem CID134265703
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine
SMILESc1cc2c(cn1)CCC1CNCCN21
InChIInChI=1S/C11H15N3/c1-2-10-8-13-5-6-14(10)11-3-4-12-7-9(1)11/h3-4,7,10,13H,1-2,5-6,8H2
InChIKeyRHUYPYGEUQRZCB-UHFFFAOYSA-N
XLogP0.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine
CID 105443837
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CID 129276152
(4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 11148681
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
CID 53407976
1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1]benzazepine-9-carboxylic acid
CID 68801411
(4aS)-8-pyridin-3-yl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[2,1-d][1,5]benzoxazepine
CID 53241125
4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265834
4-cyclopropyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265639
(6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene
CID 82411081
(6aR)-3-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265668
(4aS)-10-chloro-1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1,5]benzodiazepine
CID 71268113
8-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
CID 58941055

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine?
The IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine (CID 134265703) is 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine.
What is the SMILES notation for 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine?
The canonical SMILES for 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine is c1cc2c(cn1)CCC1CNCCN21.
What is the InChIKey of 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine?
The InChIKey is RHUYPYGEUQRZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-10-8-13-5-6-14(10)11-3-4-12-7-9(1)11/h3-4,7,10,13H,1-2,5-6,8H2.
What are the key properties of 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine?
2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine has a molecular weight of 189.26 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine is sourced from PubChem (CID 134265703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).