2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde

C12H11N3O4 — CID 3536261

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde
SMILESCOc1nc(OC)nc(Oc2ccccc2C=O)n1
InChIInChI=1S/C12H11N3O4/c1-17-10-13-11(18-2)15-12(14-10)19-9-6-4-3-5-8(9)7-16/h3-7H,1-2H3
InChIKeyNJTBNZRKCSXZIK-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.49
Rot. Bonds5

About 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde (PubChem CID 3536261) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde
PubChem CID3536261
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde
SMILESCOc1nc(OC)nc(Oc2ccccc2C=O)n1
InChIInChI=1S/C12H11N3O4/c1-17-10-13-11(18-2)15-12(14-10)19-9-6-4-3-5-8(9)7-16/h3-7H,1-2H3
InChIKeyNJTBNZRKCSXZIK-UHFFFAOYSA-N
XLogP1.49
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde (CID 3536261) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde is COc1nc(OC)nc(Oc2ccccc2C=O)n1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The InChIKey is NJTBNZRKCSXZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-17-10-13-11(18-2)15-12(14-10)19-9-6-4-3-5-8(9)7-16/h3-7H,1-2H3.
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde has a molecular weight of 261.24 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde is sourced from PubChem (CID 3536261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).