1-ethyl-1,3,5-triazinan-2-ol

C5H13N3O — CID 174816614

IUPAC1-ethyl-1,3,5-triazinan-2-ol
SMILESCCN1CNCNC1O
InChIInChI=1S/C5H13N3O/c1-2-8-4-6-3-7-5(8)9/h5-7,9H,2-4H2,1H3
InChIKeyOFSXYLDCJZDCNL-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.31
Rot. Bonds1

About 1-ethyl-1,3,5-triazinan-2-ol

1-ethyl-1,3,5-triazinan-2-ol (PubChem CID 174816614) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-ethyl-1,3,5-triazinan-2-ol.

Molecular Properties

Compound Name1-ethyl-1,3,5-triazinan-2-ol
PubChem CID174816614
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name1-ethyl-1,3,5-triazinan-2-ol
SMILESCCN1CNCNC1O
InChIInChI=1S/C5H13N3O/c1-2-8-4-6-3-7-5(8)9/h5-7,9H,2-4H2,1H3
InChIKeyOFSXYLDCJZDCNL-UHFFFAOYSA-N
XLogP-1.31
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3,5-triazinan-2-ol?
The IUPAC name of 1-ethyl-1,3,5-triazinan-2-ol (CID 174816614) is 1-ethyl-1,3,5-triazinan-2-ol.
What is the SMILES notation for 1-ethyl-1,3,5-triazinan-2-ol?
The canonical SMILES for 1-ethyl-1,3,5-triazinan-2-ol is CCN1CNCNC1O.
What is the InChIKey of 1-ethyl-1,3,5-triazinan-2-ol?
The InChIKey is OFSXYLDCJZDCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-2-8-4-6-3-7-5(8)9/h5-7,9H,2-4H2,1H3.
What are the key properties of 1-ethyl-1,3,5-triazinan-2-ol?
1-ethyl-1,3,5-triazinan-2-ol has a molecular weight of 131.18 g/mol, XLogP of -1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3,5-triazinan-2-ol is sourced from PubChem (CID 174816614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).