2-(triazinan-5-yl)ethanol

C5H13N3O — CID 66783730

IUPAC2-(triazinan-5-yl)ethanol
SMILESOCCC1CNNNC1
InChIInChI=1S/C5H13N3O/c9-2-1-5-3-6-8-7-4-5/h5-9H,1-4H2
InChIKeyIXALYOYUTSYQAO-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.40
Rot. Bonds2

About 2-(triazinan-5-yl)ethanol

2-(triazinan-5-yl)ethanol (PubChem CID 66783730) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-(triazinan-5-yl)ethanol.

Molecular Properties

Compound Name2-(triazinan-5-yl)ethanol
PubChem CID66783730
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name2-(triazinan-5-yl)ethanol
SMILESOCCC1CNNNC1
InChIInChI=1S/C5H13N3O/c9-2-1-5-3-6-8-7-4-5/h5-9H,1-4H2
InChIKeyIXALYOYUTSYQAO-UHFFFAOYSA-N
XLogP-1.40
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(triazinan-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(triazinan-5-yl)ethanol?
The IUPAC name of 2-(triazinan-5-yl)ethanol (CID 66783730) is 2-(triazinan-5-yl)ethanol.
What is the SMILES notation for 2-(triazinan-5-yl)ethanol?
The canonical SMILES for 2-(triazinan-5-yl)ethanol is OCCC1CNNNC1.
What is the InChIKey of 2-(triazinan-5-yl)ethanol?
The InChIKey is IXALYOYUTSYQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c9-2-1-5-3-6-8-7-4-5/h5-9H,1-4H2.
What are the key properties of 2-(triazinan-5-yl)ethanol?
2-(triazinan-5-yl)ethanol has a molecular weight of 131.18 g/mol, XLogP of -1.40, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazinan-5-yl)ethanol is sourced from PubChem (CID 66783730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).