3-(1,3,5-triazin-2-yloxy)propanal

C6H7N3O2 — CID 174984960

IUPAC3-(1,3,5-triazin-2-yloxy)propanal
SMILESO=CCCOc1ncncn1
InChIInChI=1S/C6H7N3O2/c10-2-1-3-11-6-8-4-7-5-9-6/h2,4-5H,1,3H2
InChIKeyUFHIEKFMYYJWFN-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.16
Rot. Bonds4

About 3-(1,3,5-triazin-2-yloxy)propanal

3-(1,3,5-triazin-2-yloxy)propanal (PubChem CID 174984960) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-(1,3,5-triazin-2-yloxy)propanal.

Molecular Properties

Compound Name3-(1,3,5-triazin-2-yloxy)propanal
PubChem CID174984960
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name3-(1,3,5-triazin-2-yloxy)propanal
SMILESO=CCCOc1ncncn1
InChIInChI=1S/C6H7N3O2/c10-2-1-3-11-6-8-4-7-5-9-6/h2,4-5H,1,3H2
InChIKeyUFHIEKFMYYJWFN-UHFFFAOYSA-N
XLogP-0.16
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,5-triazin-2-yloxy)propanal?
The IUPAC name of 3-(1,3,5-triazin-2-yloxy)propanal (CID 174984960) is 3-(1,3,5-triazin-2-yloxy)propanal.
What is the SMILES notation for 3-(1,3,5-triazin-2-yloxy)propanal?
The canonical SMILES for 3-(1,3,5-triazin-2-yloxy)propanal is O=CCCOc1ncncn1.
What is the InChIKey of 3-(1,3,5-triazin-2-yloxy)propanal?
The InChIKey is UFHIEKFMYYJWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-2-1-3-11-6-8-4-7-5-9-6/h2,4-5H,1,3H2.
What are the key properties of 3-(1,3,5-triazin-2-yloxy)propanal?
3-(1,3,5-triazin-2-yloxy)propanal has a molecular weight of 153.14 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,5-triazin-2-yloxy)propanal is sourced from PubChem (CID 174984960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).