1,3,5-tripropyltriazinane

C12H27N3 — CID 21325300

IUPAC1,3,5-tripropyltriazinane
SMILESCCCC1CN(CCC)NN(CCC)C1
InChIInChI=1S/C12H27N3/c1-4-7-12-10-14(8-5-2)13-15(11-12)9-6-3/h12-13H,4-11H2,1-3H3
InChIKeyWRNDLHRSQGGPFI-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.26
Rot. Bonds6

About 1,3,5-tripropyltriazinane

1,3,5-tripropyltriazinane (PubChem CID 21325300) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1,3,5-tripropyltriazinane.

Molecular Properties

Compound Name1,3,5-tripropyltriazinane
PubChem CID21325300
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1,3,5-tripropyltriazinane
SMILESCCCC1CN(CCC)NN(CCC)C1
InChIInChI=1S/C12H27N3/c1-4-7-12-10-14(8-5-2)13-15(11-12)9-6-3/h12-13H,4-11H2,1-3H3
InChIKeyWRNDLHRSQGGPFI-UHFFFAOYSA-N
XLogP2.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tripropyltriazinane?
The IUPAC name of 1,3,5-tripropyltriazinane (CID 21325300) is 1,3,5-tripropyltriazinane.
What is the SMILES notation for 1,3,5-tripropyltriazinane?
The canonical SMILES for 1,3,5-tripropyltriazinane is CCCC1CN(CCC)NN(CCC)C1.
What is the InChIKey of 1,3,5-tripropyltriazinane?
The InChIKey is WRNDLHRSQGGPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-7-12-10-14(8-5-2)13-15(11-12)9-6-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1,3,5-tripropyltriazinane?
1,3,5-tripropyltriazinane has a molecular weight of 213.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tripropyltriazinane is sourced from PubChem (CID 21325300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).