5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione

C15H17N3S — CID 106519088

IUPAC5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione
SMILESCc1nc(C2CCCc3cccnc32)c(=S)[nH]c1C
InChIInChI=1S/C15H17N3S/c1-9-10(2)18-15(19)14(17-9)12-7-3-5-11-6-4-8-16-13(11)12/h4,6,8,12H,3,5,7H2,1-2H3,(H,18,19)
InChIKeyJCSDZRYGVLTKCD-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.62
Rot. Bonds1

About 5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione

5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione (PubChem CID 106519088) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione
PubChem CID106519088
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione
SMILESCc1nc(C2CCCc3cccnc32)c(=S)[nH]c1C
InChIInChI=1S/C15H17N3S/c1-9-10(2)18-15(19)14(17-9)12-7-3-5-11-6-4-8-16-13(11)12/h4,6,8,12H,3,5,7H2,1-2H3,(H,18,19)
InChIKeyJCSDZRYGVLTKCD-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776905
4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
CID 136769456
3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione
CID 106516199
5-methyl-2-propyl-6-(5,6,7,8-tetrahydroquinolin-8-yl)pyrimidin-4-amine
CID 80974971
5-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazin-2-amine
CID 79739845
6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739575
N-methyl-2-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 102824855
2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
CID 136769457
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpyridin-3-amine
CID 114049651
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione?
The IUPAC name of 5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione (CID 106519088) is 5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione.
What is the SMILES notation for 5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione?
The canonical SMILES for 5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione is Cc1nc(C2CCCc3cccnc32)c(=S)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione?
The InChIKey is JCSDZRYGVLTKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-9-10(2)18-15(19)14(17-9)12-7-3-5-11-6-4-8-16-13(11)12/h4,6,8,12H,3,5,7H2,1-2H3,(H,18,19).
What are the key properties of 5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione?
5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione has a molecular weight of 271.39 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione is sourced from PubChem (CID 106519088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).