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

C11H11N5O4 — CID 80871960

IUPAC4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Oc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H11N5O4/c1-12-9-13-10(19-2)15-11(14-9)20-8-5-3-7(4-6-8)16(17)18/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyQBQVOKLVLTWSNG-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.62
Rot. Bonds5

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

4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine (PubChem CID 80871960) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
PubChem CID80871960
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Oc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H11N5O4/c1-12-9-13-10(19-2)15-11(14-9)20-8-5-3-7(4-6-8)16(17)18/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyQBQVOKLVLTWSNG-UHFFFAOYSA-N
XLogP1.62
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.62
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'}

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Related Compounds

N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80879017
4-methoxy-N-methyl-6-(4-propylphenoxy)-1,3,5-triazin-2-amine
CID 80878901
4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine
CID 71500752
3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine
CID 174278875
2-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
4-chloro-N-methyl-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80870763
4-(3-bromo-5-nitrophenoxy)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 103589659
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-N-methylaniline
CID 62859687
[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80917593
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine (CID 80871960) is 4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine is CNc1nc(OC)nc(Oc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine?
The InChIKey is QBQVOKLVLTWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c1-12-9-13-10(19-2)15-11(14-9)20-8-5-3-7(4-6-8)16(17)18/h3-6H,1-2H3,(H,12,13,14,15).
What are the key properties of 4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine has a molecular weight of 277.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80871960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).