zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate

C5H6N4S2Zn — CID 110193115

IUPACzinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate
SMILESCN(C)c1nc([S-])nc([S-])n1.[Zn+2]
InChIInChI=1S/C5H8N4S2.Zn/c1-9(2)3-6-4(10)8-5(11)7-3;/h1-2H3,(H2,6,7,8,10,11);/q;+2/p-2
InChIKeyROUKYHPVXRGDDW-UHFFFAOYSA-L
MW251.66 g/mol
LogP-0.25
Rot. Bonds1

About zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate

zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate (PubChem CID 110193115) has the molecular formula C5H6N4S2Zn and a molecular weight of 251.66 g/mol. Its IUPAC name is zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate.

Molecular Properties

Compound Namezinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate
PubChem CID110193115
Molecular FormulaC5H6N4S2Zn
Molecular Weight251.66 g/mol
Exact Mass249.93
IUPAC Namezinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate
SMILESCN(C)c1nc([S-])nc([S-])n1.[Zn+2]
InChIInChI=1S/C5H8N4S2.Zn/c1-9(2)3-6-4(10)8-5(11)7-3;/h1-2H3,(H2,6,7,8,10,11);/q;+2/p-2
InChIKeyROUKYHPVXRGDDW-UHFFFAOYSA-L
XLogP-0.25
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 172706081
4,6-difluoro-N,N-dimethylpyrimidin-2-amine
CID 594438
CID 59974246
CID 59974246
5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine
CID 28814656
2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62095858
[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 14925798
2-N,2-N-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 62192419
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62863273
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 116796338
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine
CID 11528966

Frequently Asked Questions

What is the IUPAC name of zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate?
The IUPAC name of zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate (CID 110193115) is zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate.
What is the SMILES notation for zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate?
The canonical SMILES for zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate is CN(C)c1nc([S-])nc([S-])n1.[Zn+2].
What is the InChIKey of zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate?
The InChIKey is ROUKYHPVXRGDDW-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H8N4S2.Zn/c1-9(2)3-6-4(10)8-5(11)7-3;/h1-2H3,(H2,6,7,8,10,11);/q;+2/p-2.
What are the key properties of zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate?
zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate has a molecular weight of 251.66 g/mol, XLogP of -0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate is sourced from PubChem (CID 110193115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).