[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

C12H13BrFN5O2 — CID 80925336

IUPAC[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H13BrFN5O2/c1-6(2)20-11-16-10(19-15)17-12(18-11)21-7-3-4-8(13)9(14)5-7/h3-6H,15H2,1-2H3,(H,16,17,18,19)
InChIKeyCYOQMPZCVNUTNT-UHFFFAOYSA-N
MW358.17 g/mol
LogP2.64
Rot. Bonds5

About [4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80925336) has the molecular formula C12H13BrFN5O2 and a molecular weight of 358.17 g/mol. Its IUPAC name is [4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80925336
Molecular FormulaC12H13BrFN5O2
Molecular Weight358.17 g/mol
Exact Mass357.02
IUPAC Name[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H13BrFN5O2/c1-6(2)20-11-16-10(19-15)17-12(18-11)21-7-3-4-8(13)9(14)5-7/h3-6H,15H2,1-2H3,(H,16,17,18,19)
InChIKeyCYOQMPZCVNUTNT-UHFFFAOYSA-N
XLogP2.64
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.17
LogP ≤ 52.64
H-Bond Donors ≤ 52
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-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80921724
[4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80921780
[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 83145198
[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911575
[(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304152
[4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 116806768
[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 104708873
[6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80921981
N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80900644
[4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80916071
2-(4-bromo-3-fluorophenoxy)-6-methylpyrimidine-4-carbothioamide
CID 107548668
2-chloro-4-(3,4-dichlorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62869132

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (CID 80925336) is [4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is CC(C)Oc1nc(NN)nc(Oc2ccc(Br)c(F)c2)n1.
What is the InChIKey of [4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is CYOQMPZCVNUTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN5O2/c1-6(2)20-11-16-10(19-15)17-12(18-11)21-7-3-4-8(13)9(14)5-7/h3-6H,15H2,1-2H3,(H,16,17,18,19).
What are the key properties of [4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 358.17 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80925336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).