1,2,3-tripropyltriazinane

C12H27N3 — CID 21282708

IUPAC1,2,3-tripropyltriazinane
SMILESCCCN1CCCN(CCC)N1CCC
InChIInChI=1S/C12H27N3/c1-4-8-13-11-7-12-14(9-5-2)15(13)10-6-3/h4-12H2,1-3H3
InChIKeyVRKGZUPKXLPFOE-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.36
Rot. Bonds6

About 1,2,3-tripropyltriazinane

1,2,3-tripropyltriazinane (PubChem CID 21282708) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1,2,3-tripropyltriazinane.

Molecular Properties

Compound Name1,2,3-tripropyltriazinane
PubChem CID21282708
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1,2,3-tripropyltriazinane
SMILESCCCN1CCCN(CCC)N1CCC
InChIInChI=1S/C12H27N3/c1-4-8-13-11-7-12-14(9-5-2)15(13)10-6-3/h4-12H2,1-3H3
InChIKeyVRKGZUPKXLPFOE-UHFFFAOYSA-N
XLogP2.36
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tripropyltriazinane?
The IUPAC name of 1,2,3-tripropyltriazinane (CID 21282708) is 1,2,3-tripropyltriazinane.
What is the SMILES notation for 1,2,3-tripropyltriazinane?
The canonical SMILES for 1,2,3-tripropyltriazinane is CCCN1CCCN(CCC)N1CCC.
What is the InChIKey of 1,2,3-tripropyltriazinane?
The InChIKey is VRKGZUPKXLPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-8-13-11-7-12-14(9-5-2)15(13)10-6-3/h4-12H2,1-3H3.
What are the key properties of 1,2,3-tripropyltriazinane?
1,2,3-tripropyltriazinane has a molecular weight of 213.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tripropyltriazinane is sourced from PubChem (CID 21282708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).