5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione

C17H18N4S — CID 82451003

IUPAC5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCc1cc2nc3c(c(-c4nc(=S)[nH][nH]4)c2cc1C)CCCC3
InChIInChI=1S/C17H18N4S/c1-9-7-12-14(8-10(9)2)18-13-6-4-3-5-11(13)15(12)16-19-17(22)21-20-16/h7-8H,3-6H2,1-2H3,(H2,19,20,21,22)
InChIKeyTUDISYSXZKFIKO-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.18
Rot. Bonds1

About 5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione

5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 82451003) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID82451003
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCc1cc2nc3c(c(-c4nc(=S)[nH][nH]4)c2cc1C)CCCC3
InChIInChI=1S/C17H18N4S/c1-9-7-12-14(8-10(9)2)18-13-6-4-3-5-11(13)15(12)16-19-17(22)21-20-16/h7-8H,3-6H2,1-2H3,(H2,19,20,21,22)
InChIKeyTUDISYSXZKFIKO-UHFFFAOYSA-N
XLogP4.18
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione with MolForge

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Related Compounds

(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methanol
CID 82450980
7,8-dimethyl-1,2,3,4-tetrahydrophenazine
CID 2813351
6,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbaldehyde
CID 82450945
6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 176630668
2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 122224204
4-methyl-3-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1H-1,2,4-triazole-5-thione
CID 82450325
9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine
CID 103996089
N-[(6,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methylpropan-1-amine
CID 82450952
6-methyl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
CID 164616381
5-(4-methylthiophen-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 79808399
2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63351751
2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 2566475

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione (CID 82451003) is 5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione is Cc1cc2nc3c(c(-c4nc(=S)[nH][nH]4)c2cc1C)CCCC3.
What is the InChIKey of 5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is TUDISYSXZKFIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-9-7-12-14(8-10(9)2)18-13-6-4-3-5-11(13)15(12)16-19-17(22)21-20-16/h7-8H,3-6H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 310.43 g/mol, XLogP of 4.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 82451003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).