4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

C8H13F3N6O — CID 80913771

IUPAC4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NCCC(F)(F)F)n1
InChIInChI=1S/C8H13F3N6O/c1-2-18-7-15-5(14-6(16-7)17-12)13-4-3-8(9,10)11/h2-4,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyVIMBMUSRIFUARG-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.92
Rot. Bonds6

About 4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 80913771) has the molecular formula C8H13F3N6O and a molecular weight of 266.23 g/mol. Its IUPAC name is 4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID80913771
Molecular FormulaC8H13F3N6O
Molecular Weight266.23 g/mol
Exact Mass266.11
IUPAC Name4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NCCC(F)(F)F)n1
InChIInChI=1S/C8H13F3N6O/c1-2-18-7-15-5(14-6(16-7)17-12)13-4-3-8(9,10)11/h2-4,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyVIMBMUSRIFUARG-UHFFFAOYSA-N
XLogP0.92
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 80909165
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523140
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
4-ethoxy-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294470
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
4-ethoxy-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114944805
5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324376
N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80943903
4-ethoxy-6-hydrazinyl-N-(3-propoxypropyl)-1,3,5-triazin-2-amine
CID 82947451
6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
1-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 80902362

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 80913771) is 4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(NCCC(F)(F)F)n1.
What is the InChIKey of 4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is VIMBMUSRIFUARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N6O/c1-2-18-7-15-5(14-6(16-7)17-12)13-4-3-8(9,10)11/h2-4,12H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 266.23 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80913771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).