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

C10H9ClN6O4 — CID 80920555

IUPAC[4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H9ClN6O4/c1-20-9-13-8(16-12)14-10(15-9)21-7-4-5(11)2-3-6(7)17(18)19/h2-4H,12H2,1H3,(H,13,14,15,16)
InChIKeyIPFDFUOYGNZZCZ-UHFFFAOYSA-N
MW312.67 g/mol
LogP1.52
Rot. Bonds5

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

[4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80920555) has the molecular formula C10H9ClN6O4 and a molecular weight of 312.67 g/mol. Its IUPAC name is [4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80920555
Molecular FormulaC10H9ClN6O4
Molecular Weight312.67 g/mol
Exact Mass312.04
IUPAC Name[4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H9ClN6O4/c1-20-9-13-8(16-12)14-10(15-9)21-7-4-5(11)2-3-6(7)17(18)19/h2-4H,12H2,1H3,(H,13,14,15,16)
InChIKeyIPFDFUOYGNZZCZ-UHFFFAOYSA-N
XLogP1.52
TPSA138.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.67
LogP ≤ 51.52
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-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80912368
2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859158
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
[4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 81496900
4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 102703874
[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938296
2-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80860682
4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80880096
N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80926064
5-bromo-4-(5-chloro-2-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80872739
4-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80873875

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (CID 80920555) is [4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1.
What is the InChIKey of [4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is IPFDFUOYGNZZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6O4/c1-20-9-13-8(16-12)14-10(15-9)21-7-4-5(11)2-3-6(7)17(18)19/h2-4H,12H2,1H3,(H,13,14,15,16).
What are the key properties of [4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 312.67 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80920555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).