N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

C9H14N8S2 — CID 80931247

IUPACN,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(Sc2nncs2)n1
InChIInChI=1S/C9H14N8S2/c1-3-17(4-2)7-12-6(15-10)13-8(14-7)19-9-16-11-5-18-9/h5H,3-4,10H2,1-2H3,(H,12,13,14,15)
InChIKeyUABVJHUEXMONSD-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.01
Rot. Bonds6

About N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80931247) has the molecular formula C9H14N8S2 and a molecular weight of 298.40 g/mol. Its IUPAC name is N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80931247
Molecular FormulaC9H14N8S2
Molecular Weight298.40 g/mol
Exact Mass298.08
IUPAC NameN,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(Sc2nncs2)n1
InChIInChI=1S/C9H14N8S2/c1-3-17(4-2)7-12-6(15-10)13-8(14-7)19-9-16-11-5-18-9/h5H,3-4,10H2,1-2H3,(H,12,13,14,15)
InChIKeyUABVJHUEXMONSD-UHFFFAOYSA-N
XLogP1.01
TPSA105.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

[4-propoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80931173
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80925367
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80930075
[4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930406
[4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930718
2-N,2-N,4-N-triethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 80873629
4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80893125
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 114235285
2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888456
2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 80885759
4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80904735

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80931247) is N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is CCN(CC)c1nc(NN)nc(Sc2nncs2)n1.
What is the InChIKey of N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is UABVJHUEXMONSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8S2/c1-3-17(4-2)7-12-6(15-10)13-8(14-7)19-9-16-11-5-18-9/h5H,3-4,10H2,1-2H3,(H,12,13,14,15).
What are the key properties of N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 298.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80931247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).