5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine

C17H21N5O2S — CID 112955228

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine
SMILESCN(c1nncc(N2CCCc3ccccc32)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H21N5O2S/c1-21(14-8-10-25(23,24)12-14)17-19-16(11-18-20-17)22-9-4-6-13-5-2-3-7-15(13)22/h2-3,5,7,11,14H,4,6,8-10,12H2,1H3
InChIKeyDQUNJKBGGAVSQM-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.58
Rot. Bonds3

About 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine

5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine (PubChem CID 112955228) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine
PubChem CID112955228
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine
SMILESCN(c1nncc(N2CCCc3ccccc32)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H21N5O2S/c1-21(14-8-10-25(23,24)12-14)17-19-16(11-18-20-17)22-9-4-6-13-5-2-3-7-15(13)22/h2-3,5,7,11,14H,4,6,8-10,12H2,1H3
InChIKeyDQUNJKBGGAVSQM-UHFFFAOYSA-N
XLogP1.58
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine with MolForge

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine
CID 112921934
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 109123005
N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine
CID 112960153
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-2-amine
CID 112894202
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 112923053
5-N-cyclopentyl-3-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112941465
N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112941703
3-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112955209
3-N-(1,1-dioxothiolan-3-yl)-5-N-[(2-fluorophenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949556
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109122860
3-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-1,2,4-triazin-5-amine
CID 112954857
3-N-(1,1-dioxothiolan-3-yl)-5-N-(4-ethylphenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112955236

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine (CID 112955228) is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine is CN(c1nncc(N2CCCc3ccccc32)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine?
The InChIKey is DQUNJKBGGAVSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-21(14-8-10-25(23,24)12-14)17-19-16(11-18-20-17)22-9-4-6-13-5-2-3-7-15(13)22/h2-3,5,7,11,14H,4,6,8-10,12H2,1H3.
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine?
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine has a molecular weight of 359.46 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112955228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).