5-ethyl-1,3,5-triazinane-2-carbaldehyde

C6H13N3O — CID 174930544

IUPAC5-ethyl-1,3,5-triazinane-2-carbaldehyde
SMILESCCN1CNC(C=O)NC1
InChIInChI=1S/C6H13N3O/c1-2-9-4-7-6(3-10)8-5-9/h3,6-8H,2,4-5H2,1H3
InChIKeySLACQTZYYFFPQY-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.06
Rot. Bonds2

About 5-ethyl-1,3,5-triazinane-2-carbaldehyde

5-ethyl-1,3,5-triazinane-2-carbaldehyde (PubChem CID 174930544) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-ethyl-1,3,5-triazinane-2-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-1,3,5-triazinane-2-carbaldehyde
PubChem CID174930544
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name5-ethyl-1,3,5-triazinane-2-carbaldehyde
SMILESCCN1CNC(C=O)NC1
InChIInChI=1S/C6H13N3O/c1-2-9-4-7-6(3-10)8-5-9/h3,6-8H,2,4-5H2,1H3
InChIKeySLACQTZYYFFPQY-UHFFFAOYSA-N
XLogP-1.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,5-triazinane-2-carbaldehyde?
The IUPAC name of 5-ethyl-1,3,5-triazinane-2-carbaldehyde (CID 174930544) is 5-ethyl-1,3,5-triazinane-2-carbaldehyde.
What is the SMILES notation for 5-ethyl-1,3,5-triazinane-2-carbaldehyde?
The canonical SMILES for 5-ethyl-1,3,5-triazinane-2-carbaldehyde is CCN1CNC(C=O)NC1.
What is the InChIKey of 5-ethyl-1,3,5-triazinane-2-carbaldehyde?
The InChIKey is SLACQTZYYFFPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-2-9-4-7-6(3-10)8-5-9/h3,6-8H,2,4-5H2,1H3.
What are the key properties of 5-ethyl-1,3,5-triazinane-2-carbaldehyde?
5-ethyl-1,3,5-triazinane-2-carbaldehyde has a molecular weight of 143.19 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,5-triazinane-2-carbaldehyde is sourced from PubChem (CID 174930544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).