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

C9H17N5O2S — CID 80928778

IUPAC3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCCOc1nc(NN)nc(SCC(C)CO)n1
InChIInChI=1S/C9H17N5O2S/c1-3-16-8-11-7(14-10)12-9(13-8)17-5-6(2)4-15/h6,15H,3-5,10H2,1-2H3,(H,11,12,13,14)
InChIKeyVFGMZDOGQKTRHC-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.28
Rot. Bonds7

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

3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 80928778) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
PubChem CID80928778
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCCOc1nc(NN)nc(SCC(C)CO)n1
InChIInChI=1S/C9H17N5O2S/c1-3-16-8-11-7(14-10)12-9(13-8)17-5-6(2)4-15/h6,15H,3-5,10H2,1-2H3,(H,11,12,13,14)
InChIKeyVFGMZDOGQKTRHC-UHFFFAOYSA-N
XLogP0.28
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
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

3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890385
ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 80923874
3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80891366
[4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930656
4-ethoxy-6-hydrazinyl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80917208
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
(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80923930
(4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine
CID 80913971
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 80890555
3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 66105828
methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate
CID 114284142
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80897980

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol (CID 80928778) is 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol is CCOc1nc(NN)nc(SCC(C)CO)n1.
What is the InChIKey of 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is VFGMZDOGQKTRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-3-16-8-11-7(14-10)12-9(13-8)17-5-6(2)4-15/h6,15H,3-5,10H2,1-2H3,(H,11,12,13,14).
What are the key properties of 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 259.33 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 80928778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).