N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine

C12H22N6OS — CID 106497966

IUPACN,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(SCC2CCCO2)n1
InChIInChI=1S/C12H22N6OS/c1-3-18(4-2)11-14-10(17-13)15-12(16-11)20-8-9-6-5-7-19-9/h9H,3-8,13H2,1-2H3,(H,14,15,16,17)
InChIKeyNLQXSUQTTKWDJA-UHFFFAOYSA-N
MW298.42 g/mol
LogP1.27
Rot. Bonds7

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

N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 106497966) has the molecular formula C12H22N6OS and a molecular weight of 298.42 g/mol. Its IUPAC name is N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID106497966
Molecular FormulaC12H22N6OS
Molecular Weight298.42 g/mol
Exact Mass298.16
IUPAC NameN,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(SCC2CCCO2)n1
InChIInChI=1S/C12H22N6OS/c1-3-18(4-2)11-14-10(17-13)15-12(16-11)20-8-9-6-5-7-19-9/h9H,3-8,13H2,1-2H3,(H,14,15,16,17)
InChIKeyNLQXSUQTTKWDJA-UHFFFAOYSA-N
XLogP1.27
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106498020
4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106494848
6-chloro-2-N,2-N-diethyl-4-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 62864492
[4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 114045275
2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80898529
[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106498029
[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 106498011
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 106497876
3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 4257341
2-N,4-N-diethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799363
3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
CID 3671758

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine (CID 106497966) is N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine is CCN(CC)c1nc(NN)nc(SCC2CCCO2)n1.
What is the InChIKey of N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is NLQXSUQTTKWDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6OS/c1-3-18(4-2)11-14-10(17-13)15-12(16-11)20-8-9-6-5-7-19-9/h9H,3-8,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 298.42 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106497966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).