4-(1,3,5-triazin-2-yloxy)benzaldehyde

C10H7N3O2 — CID 138455232

IUPAC4-(1,3,5-triazin-2-yloxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ncncn2)cc1
InChIInChI=1S/C10H7N3O2/c14-5-8-1-3-9(4-2-8)15-10-12-6-11-7-13-10/h1-7H
InChIKeyMOCVYYUNLJKUSJ-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.48
Rot. Bonds3

About 4-(1,3,5-triazin-2-yloxy)benzaldehyde

4-(1,3,5-triazin-2-yloxy)benzaldehyde (PubChem CID 138455232) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 4-(1,3,5-triazin-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name4-(1,3,5-triazin-2-yloxy)benzaldehyde
PubChem CID138455232
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name4-(1,3,5-triazin-2-yloxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ncncn2)cc1
InChIInChI=1S/C10H7N3O2/c14-5-8-1-3-9(4-2-8)15-10-12-6-11-7-13-10/h1-7H
InChIKeyMOCVYYUNLJKUSJ-UHFFFAOYSA-N
XLogP1.48
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,5-triazin-2-yloxy)benzaldehyde?
The IUPAC name of 4-(1,3,5-triazin-2-yloxy)benzaldehyde (CID 138455232) is 4-(1,3,5-triazin-2-yloxy)benzaldehyde.
What is the SMILES notation for 4-(1,3,5-triazin-2-yloxy)benzaldehyde?
The canonical SMILES for 4-(1,3,5-triazin-2-yloxy)benzaldehyde is O=Cc1ccc(Oc2ncncn2)cc1.
What is the InChIKey of 4-(1,3,5-triazin-2-yloxy)benzaldehyde?
The InChIKey is MOCVYYUNLJKUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c14-5-8-1-3-9(4-2-8)15-10-12-6-11-7-13-10/h1-7H.
What are the key properties of 4-(1,3,5-triazin-2-yloxy)benzaldehyde?
4-(1,3,5-triazin-2-yloxy)benzaldehyde has a molecular weight of 201.19 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,5-triazin-2-yloxy)benzaldehyde is sourced from PubChem (CID 138455232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).