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

C10H8ClN5O4 — CID 102703874

IUPAC4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(Oc2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C10H8ClN5O4/c1-19-5-2-3-6(16(17)18)7(4-5)20-10-14-8(11)13-9(12)15-10/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyWHBDIMJPHDTDJD-UHFFFAOYSA-N
MW297.66 g/mol
LogP1.82
Rot. Bonds4

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

4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine (PubChem CID 102703874) has the molecular formula C10H8ClN5O4 and a molecular weight of 297.66 g/mol. Its IUPAC name is 4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine
PubChem CID102703874
Molecular FormulaC10H8ClN5O4
Molecular Weight297.66 g/mol
Exact Mass297.03
IUPAC Name4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(Oc2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C10H8ClN5O4/c1-19-5-2-3-6(16(17)18)7(4-5)20-10-14-8(11)13-9(12)15-10/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyWHBDIMJPHDTDJD-UHFFFAOYSA-N
XLogP1.82
TPSA126.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 51.82
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

4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202386
2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859158
4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80876755
6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 102703887
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]-3-nitrobenzonitrile
CID 80872949
2-(5-methoxy-2-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107546076
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380
4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
[4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80920555
2-[4-chloro-2-(chloromethyl)phenoxy]-4-methoxy-1-nitrobenzene
CID 102702832

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine (CID 102703874) is 4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine is COc1ccc([N+](=O)[O-])c(Oc2nc(N)nc(Cl)n2)c1.
What is the InChIKey of 4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine?
The InChIKey is WHBDIMJPHDTDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O4/c1-19-5-2-3-6(16(17)18)7(4-5)20-10-14-8(11)13-9(12)15-10/h2-4H,1H3,(H2,12,13,14,15).
What are the key properties of 4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine?
4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine has a molecular weight of 297.66 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 102703874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).