4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine

C12H13N5O4 — CID 80875232

IUPAC4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Oc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H13N5O4/c1-3-20-11-14-10(13-2)15-12(16-11)21-9-7-5-4-6-8(9)17(18)19/h4-7H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyUCGKSRCGBCKCNE-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.01
Rot. Bonds6

About 4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine

4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine (PubChem CID 80875232) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine
PubChem CID80875232
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Oc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H13N5O4/c1-3-20-11-14-10(13-2)15-12(16-11)21-9-7-5-4-6-8(9)17(18)19/h4-7H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyUCGKSRCGBCKCNE-UHFFFAOYSA-N
XLogP2.01
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-6-(2-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863784
4-chloro-6-(2-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863834
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346
5-ethyl-N-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875427
4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80860682
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
4-methoxy-N-methyl-6-(2-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80867250
4-(2-nitrophenoxy)-N-propylpyrimidin-2-amine
CID 80875415
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 2283926
4-(2-butan-2-ylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80874064

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine (CID 80875232) is 4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(Oc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine?
The InChIKey is UCGKSRCGBCKCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-3-20-11-14-10(13-2)15-12(16-11)21-9-7-5-4-6-8(9)17(18)19/h4-7H,3H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine has a molecular weight of 291.27 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80875232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).