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

C10H9BrN6O4 — CID 81496900

IUPAC[4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2c(Br)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H9BrN6O4/c1-20-9-13-8(16-12)14-10(15-9)21-7-5(11)3-2-4-6(7)17(18)19/h2-4H,12H2,1H3,(H,13,14,15,16)
InChIKeyXQXNWKWHXCATPP-UHFFFAOYSA-N
MW357.12 g/mol
LogP1.63
Rot. Bonds5

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

[4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 81496900) has the molecular formula C10H9BrN6O4 and a molecular weight of 357.12 g/mol. Its IUPAC name is [4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID81496900
Molecular FormulaC10H9BrN6O4
Molecular Weight357.12 g/mol
Exact Mass355.99
IUPAC Name[4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2c(Br)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H9BrN6O4/c1-20-9-13-8(16-12)14-10(15-9)21-7-5(11)3-2-4-6(7)17(18)19/h2-4H,12H2,1H3,(H,13,14,15,16)
InChIKeyXQXNWKWHXCATPP-UHFFFAOYSA-N
XLogP1.63
TPSA138.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.12
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 81499626
[4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80912368
[4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80920555
4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 81499351
1-bromo-2-methoxy-3-nitrobenzene;2-bromo-6-nitrophenol
CID 159929831
[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 104708873
[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 83145198
4-(4-bromo-2-methyl-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870756
2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551192
4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80880096
[4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909705
(1R)-1-[2-(2-bromo-6-nitrophenoxy)phenyl]propan-1-amine
CID 103959439

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (CID 81496900) is [4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(Oc2c(Br)cccc2[N+](=O)[O-])n1.
What is the InChIKey of [4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is XQXNWKWHXCATPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN6O4/c1-20-9-13-8(16-12)14-10(15-9)21-7-5(11)3-2-4-6(7)17(18)19/h2-4H,12H2,1H3,(H,13,14,15,16).
What are the key properties of [4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 357.12 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 81496900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).