1,3,5-triethyl-1,3,5-triazinane

C9H21N3 — CID 24512

IUPAC1,3,5-triethyl-1,3,5-triazinane
SMILESCCN1CN(CC)CN(CC)C1
InChIInChI=1S/C9H21N3/c1-4-10-7-11(5-2)9-12(6-3)8-10/h4-9H2,1-3H3
InChIKeyXYRTVIAPRQLSOW-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.84
Rot. Bonds3

About 1,3,5-triethyl-1,3,5-triazinane

1,3,5-triethyl-1,3,5-triazinane (PubChem CID 24512) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1,3,5-triethyl-1,3,5-triazinane.

Molecular Properties

Compound Name1,3,5-triethyl-1,3,5-triazinane
PubChem CID24512
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1,3,5-triethyl-1,3,5-triazinane
SMILESCCN1CN(CC)CN(CC)C1
InChIInChI=1S/C9H21N3/c1-4-10-7-11(5-2)9-12(6-3)8-10/h4-9H2,1-3H3
InChIKeyXYRTVIAPRQLSOW-UHFFFAOYSA-N
XLogP0.84
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethyl-1,3,5-triazinane?
The IUPAC name of 1,3,5-triethyl-1,3,5-triazinane (CID 24512) is 1,3,5-triethyl-1,3,5-triazinane.
What is the SMILES notation for 1,3,5-triethyl-1,3,5-triazinane?
The canonical SMILES for 1,3,5-triethyl-1,3,5-triazinane is CCN1CN(CC)CN(CC)C1.
What is the InChIKey of 1,3,5-triethyl-1,3,5-triazinane?
The InChIKey is XYRTVIAPRQLSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-4-10-7-11(5-2)9-12(6-3)8-10/h4-9H2,1-3H3.
What are the key properties of 1,3,5-triethyl-1,3,5-triazinane?
1,3,5-triethyl-1,3,5-triazinane has a molecular weight of 171.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethyl-1,3,5-triazinane is sourced from PubChem (CID 24512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).