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

C11H12N6O4 — CID 80912368

IUPAC[4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2cc(C)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H12N6O4/c1-6-3-4-7(17(18)19)8(5-6)21-11-14-9(16-12)13-10(15-11)20-2/h3-5H,12H2,1-2H3,(H,13,14,15,16)
InChIKeyZGCOIVDTTSGRJK-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.17
Rot. Bonds5

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

[4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80912368) has the molecular formula C11H12N6O4 and a molecular weight of 292.26 g/mol. Its IUPAC name is [4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80912368
Molecular FormulaC11H12N6O4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name[4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2cc(C)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H12N6O4/c1-6-3-4-7(17(18)19)8(5-6)21-11-14-9(16-12)13-10(15-11)20-2/h3-5H,12H2,1-2H3,(H,13,14,15,16)
InChIKeyZGCOIVDTTSGRJK-UHFFFAOYSA-N
XLogP1.17
TPSA138.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.17
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-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80920555
[4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 81496900
2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859158
[6-(5-methyl-2-nitrophenoxy)pyrazin-2-yl]hydrazine
CID 80920526
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915610
N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80870775
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 104708873
4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80878620
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80880096

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine (CID 80912368) is [4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(Oc2cc(C)ccc2[N+](=O)[O-])n1.
What is the InChIKey of [4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is ZGCOIVDTTSGRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4/c1-6-3-4-7(17(18)19)8(5-6)21-11-14-9(16-12)13-10(15-11)20-2/h3-5H,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of [4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine?
[4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 292.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80912368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).