1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane

C15H21N3 — CID 90277190

IUPAC1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
SMILESC#CCN1CCN(CC#C)CCN(CC#C)CC1
InChIInChI=1S/C15H21N3/c1-4-7-16-10-12-17(8-5-2)14-15-18(9-6-3)13-11-16/h1-3H,7-15H2
InChIKeyYJUDZPJARVBLCX-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds3

About 1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane

1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane (PubChem CID 90277190) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane.

Molecular Properties

Compound Name1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
PubChem CID90277190
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
SMILESC#CCN1CCN(CC#C)CCN(CC#C)CC1
InChIInChI=1S/C15H21N3/c1-4-7-16-10-12-17(8-5-2)14-15-18(9-6-3)13-11-16/h1-3H,7-15H2
InChIKeyYJUDZPJARVBLCX-UHFFFAOYSA-N
XLogP-0.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane?
The IUPAC name of 1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane (CID 90277190) is 1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane.
What is the SMILES notation for 1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane?
The canonical SMILES for 1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane is C#CCN1CCN(CC#C)CCN(CC#C)CC1.
What is the InChIKey of 1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane?
The InChIKey is YJUDZPJARVBLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-7-16-10-12-17(8-5-2)14-15-18(9-6-3)13-11-16/h1-3H,7-15H2.
What are the key properties of 1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane?
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane has a molecular weight of 243.35 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane is sourced from PubChem (CID 90277190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).