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

C12H13N5O4 — CID 80879017

IUPACN-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Oc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C12H13N5O4/c1-3-13-10-14-11(20-2)16-12(15-10)21-9-6-4-8(5-7-9)17(18)19/h4-7H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyJZAIXJJMJAVZRD-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.01
Rot. Bonds6

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

N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine (PubChem CID 80879017) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
PubChem CID80879017
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC NameN-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Oc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C12H13N5O4/c1-3-13-10-14-11(20-2)16-12(15-10)21-9-6-4-8(5-7-9)17(18)19/h4-7H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyJZAIXJJMJAVZRD-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 N-ethyl-4-methoxy-6-(4-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-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80871960
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
CID 80874835
N-ethyl-4-methoxy-6-(4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865175
N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine
CID 705411
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
4-ethoxy-N-ethyl-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863510
4-methoxy-N-methyl-6-(4-propylphenoxy)-1,3,5-triazin-2-amine
CID 80878901
4-N-ethyl-6-(4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80870871
4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine
CID 71500752
4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80880096
[4-(4-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80917858
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine (CID 80879017) is N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(Oc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine?
The InChIKey is JZAIXJJMJAVZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-3-13-10-14-11(20-2)16-12(15-10)21-9-6-4-8(5-7-9)17(18)19/h4-7H,3H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine?
N-ethyl-4-methoxy-6-(4-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 N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80879017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).