4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine

C11H10ClN5O3 — CID 80876755

IUPAC4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCCc1ccc(Oc2nc(N)nc(Cl)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H10ClN5O3/c1-2-6-3-4-8(7(5-6)17(18)19)20-11-15-9(12)14-10(13)16-11/h3-5H,2H2,1H3,(H2,13,14,15,16)
InChIKeyJGBFNJZZSXYTQD-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.37
Rot. Bonds4

About 4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine

4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine (PubChem CID 80876755) has the molecular formula C11H10ClN5O3 and a molecular weight of 295.69 g/mol. Its IUPAC name is 4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine
PubChem CID80876755
Molecular FormulaC11H10ClN5O3
Molecular Weight295.69 g/mol
Exact Mass295.05
IUPAC Name4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCCc1ccc(Oc2nc(N)nc(Cl)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H10ClN5O3/c1-2-6-3-4-8(7(5-6)17(18)19)20-11-15-9(12)14-10(13)16-11/h3-5H,2H2,1H3,(H2,13,14,15,16)
InChIKeyJGBFNJZZSXYTQD-UHFFFAOYSA-N
XLogP2.37
TPSA117.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]-3-nitrobenzonitrile
CID 80872949
3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
CID 102760998
4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202386
4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 102703874
4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80925193
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine
CID 80938633
4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80860682
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
1-ethenoxy-4-ethyl-2-nitrobenzene
CID 66367399
2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859158

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine (CID 80876755) is 4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine is CCc1ccc(Oc2nc(N)nc(Cl)n2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine?
The InChIKey is JGBFNJZZSXYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O3/c1-2-6-3-4-8(7(5-6)17(18)19)20-11-15-9(12)14-10(13)16-11/h3-5H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine?
4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine has a molecular weight of 295.69 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80876755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).