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

C10H8ClN5O4 — CID 103202386

IUPAC4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Oc2nc(N)nc(Cl)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8ClN5O4/c1-19-7-3-2-5(4-6(7)16(17)18)20-10-14-8(11)13-9(12)15-10/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyQJLBBSQBUXJDGE-UHFFFAOYSA-N
MW297.66 g/mol
LogP1.82
Rot. Bonds4

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

4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine (PubChem CID 103202386) has the molecular formula C10H8ClN5O4 and a molecular weight of 297.66 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
PubChem CID103202386
Molecular FormulaC10H8ClN5O4
Molecular Weight297.66 g/mol
Exact Mass297.03
IUPAC Name4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Oc2nc(N)nc(Cl)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8ClN5O4/c1-19-7-3-2-5(4-6(7)16(17)18)20-10-14-8(11)13-9(12)15-10/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyQJLBBSQBUXJDGE-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-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380
4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 102703874
4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80876755
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]-3-nitrobenzonitrile
CID 80872949
2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine
CID 114252491
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
CID 103201617
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103202147
2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
CID 62857419
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine (CID 103202386) is 4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine is COc1ccc(Oc2nc(N)nc(Cl)n2)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine?
The InChIKey is QJLBBSQBUXJDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O4/c1-19-7-3-2-5(4-6(7)16(17)18)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-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine?
4-chloro-6-(4-methoxy-3-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-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103202386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).