[4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine

C8H12F3N5O2 — CID 82794676

IUPAC[4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5O2/c1-17-6-13-5(16-12)14-7(15-6)18-4-2-3-8(9,10)11/h2-4,12H2,1H3,(H,13,14,15,16)
InChIKeyZDIOWRDLRNNLEJ-UHFFFAOYSA-N
MW267.21 g/mol
LogP0.89
Rot. Bonds6

About [4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine

[4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 82794676) has the molecular formula C8H12F3N5O2 and a molecular weight of 267.21 g/mol. Its IUPAC name is [4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine
PubChem CID82794676
Molecular FormulaC8H12F3N5O2
Molecular Weight267.21 g/mol
Exact Mass267.09
IUPAC Name[4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5O2/c1-17-6-13-5(16-12)14-7(15-6)18-4-2-3-8(9,10)11/h2-4,12H2,1H3,(H,13,14,15,16)
InChIKeyZDIOWRDLRNNLEJ-UHFFFAOYSA-N
XLogP0.89
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943261
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
[4-(2,2-difluoroethoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 82010197
4-hydrazinyl-N-methyl-6-propoxy-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80924992
4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80866297
2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
CID 82782437
[4-(cyclopropylmethoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80913506
N-[2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]ethyl]-N-methylcyclopropanamine
CID 102741456
[5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine
CID 82793945
4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
CID 82795407
4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80913771

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine (CID 82794676) is [4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(OCCCC(F)(F)F)n1.
What is the InChIKey of [4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is ZDIOWRDLRNNLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O2/c1-17-6-13-5(16-12)14-7(15-6)18-4-2-3-8(9,10)11/h2-4,12H2,1H3,(H,13,14,15,16).
What are the key properties of [4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine?
[4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 267.21 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 82794676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).