1,3,5-triethyltriazinane

C9H21N3 — CID 21325295

IUPAC1,3,5-triethyltriazinane
SMILESCCC1CN(CC)NN(CC)C1
InChIInChI=1S/C9H21N3/c1-4-9-7-11(5-2)10-12(6-3)8-9/h9-10H,4-8H2,1-3H3
InChIKeyCWKFSQSYSQVXIW-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.09
Rot. Bonds3

About 1,3,5-triethyltriazinane

1,3,5-triethyltriazinane (PubChem CID 21325295) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1,3,5-triethyltriazinane.

Molecular Properties

Compound Name1,3,5-triethyltriazinane
PubChem CID21325295
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1,3,5-triethyltriazinane
SMILESCCC1CN(CC)NN(CC)C1
InChIInChI=1S/C9H21N3/c1-4-9-7-11(5-2)10-12(6-3)8-9/h9-10H,4-8H2,1-3H3
InChIKeyCWKFSQSYSQVXIW-UHFFFAOYSA-N
XLogP1.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethyltriazinane?
The IUPAC name of 1,3,5-triethyltriazinane (CID 21325295) is 1,3,5-triethyltriazinane.
What is the SMILES notation for 1,3,5-triethyltriazinane?
The canonical SMILES for 1,3,5-triethyltriazinane is CCC1CN(CC)NN(CC)C1.
What is the InChIKey of 1,3,5-triethyltriazinane?
The InChIKey is CWKFSQSYSQVXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-4-9-7-11(5-2)10-12(6-3)8-9/h9-10H,4-8H2,1-3H3.
What are the key properties of 1,3,5-triethyltriazinane?
1,3,5-triethyltriazinane has a molecular weight of 171.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethyltriazinane is sourced from PubChem (CID 21325295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).