ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate

C9H15N5O3S — CID 80923874

IUPACethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nc(NN)nc(OCC)n1
InChIInChI=1S/C9H15N5O3S/c1-3-16-6(15)5-18-9-12-7(14-10)11-8(13-9)17-4-2/h3-5,10H2,1-2H3,(H,11,12,13,14)
InChIKeyWENJQDFFSPGMAZ-UHFFFAOYSA-N
MW273.32 g/mol
LogP0.21
Rot. Bonds7

About ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate

ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate (PubChem CID 80923874) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate
PubChem CID80923874
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Nameethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nc(NN)nc(OCC)n1
InChIInChI=1S/C9H15N5O3S/c1-3-16-6(15)5-18-9-12-7(14-10)11-8(13-9)17-4-2/h3-5,10H2,1-2H3,(H,11,12,13,14)
InChIKeyWENJQDFFSPGMAZ-UHFFFAOYSA-N
XLogP0.21
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930656
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 80928778
ethyl 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanylacetate
CID 80922929
ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate
CID 4283909
ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate
CID 80922675
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]acetamide
CID 80932009
ethyl 2-[[4-(cyanoamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 655506
methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886259
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80928785
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 114235285
methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate
CID 114284142

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate (CID 80923874) is ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate is CCOC(=O)CSc1nc(NN)nc(OCC)n1.
What is the InChIKey of ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate?
The InChIKey is WENJQDFFSPGMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-3-16-6(15)5-18-9-12-7(14-10)11-8(13-9)17-4-2/h3-5,10H2,1-2H3,(H,11,12,13,14).
What are the key properties of ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate?
ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate has a molecular weight of 273.32 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate is sourced from PubChem (CID 80923874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).