1,3,5-tris(prop-1-enyl)-1,3,5-triazinane

C12H21N3 — CID 141354273

IUPAC1,3,5-tris(prop-1-enyl)-1,3,5-triazinane
SMILESCC=CN1CN(C=CC)CN(C=CC)C1
InChIInChI=1S/C12H21N3/c1-4-7-13-10-14(8-5-2)12-15(11-13)9-6-3/h4-9H,10-12H2,1-3H3
InChIKeyOCJFMPGJEGCRAH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.38
Rot. Bonds3

About 1,3,5-tris(prop-1-enyl)-1,3,5-triazinane

1,3,5-tris(prop-1-enyl)-1,3,5-triazinane (PubChem CID 141354273) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,3,5-tris(prop-1-enyl)-1,3,5-triazinane.

Molecular Properties

Compound Name1,3,5-tris(prop-1-enyl)-1,3,5-triazinane
PubChem CID141354273
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1,3,5-tris(prop-1-enyl)-1,3,5-triazinane
SMILESCC=CN1CN(C=CC)CN(C=CC)C1
InChIInChI=1S/C12H21N3/c1-4-7-13-10-14(8-5-2)12-15(11-13)9-6-3/h4-9H,10-12H2,1-3H3
InChIKeyOCJFMPGJEGCRAH-UHFFFAOYSA-N
XLogP2.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(prop-1-enyl)-1,3,5-triazinane?
The IUPAC name of 1,3,5-tris(prop-1-enyl)-1,3,5-triazinane (CID 141354273) is 1,3,5-tris(prop-1-enyl)-1,3,5-triazinane.
What is the SMILES notation for 1,3,5-tris(prop-1-enyl)-1,3,5-triazinane?
The canonical SMILES for 1,3,5-tris(prop-1-enyl)-1,3,5-triazinane is CC=CN1CN(C=CC)CN(C=CC)C1.
What is the InChIKey of 1,3,5-tris(prop-1-enyl)-1,3,5-triazinane?
The InChIKey is OCJFMPGJEGCRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-7-13-10-14(8-5-2)12-15(11-13)9-6-3/h4-9H,10-12H2,1-3H3.
What are the key properties of 1,3,5-tris(prop-1-enyl)-1,3,5-triazinane?
1,3,5-tris(prop-1-enyl)-1,3,5-triazinane has a molecular weight of 207.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(prop-1-enyl)-1,3,5-triazinane is sourced from PubChem (CID 141354273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).