1-(azetidin-3-yl)triazole;ethane

C7H14N4 — CID 166547144

IUPAC1-(azetidin-3-yl)triazole;ethane
SMILESCC.c1cn(C2CNC2)nn1
InChIInChI=1S/C5H8N4.C2H6/c1-2-9(8-7-1)5-3-6-4-5;1-2/h1-2,5-6H,3-4H2;1-2H3
InChIKeyBFNNAODHCBDTDC-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.45
Rot. Bonds1

About 1-(azetidin-3-yl)triazole;ethane

1-(azetidin-3-yl)triazole;ethane (PubChem CID 166547144) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(azetidin-3-yl)triazole;ethane.

Molecular Properties

Compound Name1-(azetidin-3-yl)triazole;ethane
PubChem CID166547144
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-(azetidin-3-yl)triazole;ethane
SMILESCC.c1cn(C2CNC2)nn1
InChIInChI=1S/C5H8N4.C2H6/c1-2-9(8-7-1)5-3-6-4-5;1-2/h1-2,5-6H,3-4H2;1-2H3
InChIKeyBFNNAODHCBDTDC-UHFFFAOYSA-N
XLogP0.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)triazole;ethane?
The IUPAC name of 1-(azetidin-3-yl)triazole;ethane (CID 166547144) is 1-(azetidin-3-yl)triazole;ethane.
What is the SMILES notation for 1-(azetidin-3-yl)triazole;ethane?
The canonical SMILES for 1-(azetidin-3-yl)triazole;ethane is CC.c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)triazole;ethane?
The InChIKey is BFNNAODHCBDTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.C2H6/c1-2-9(8-7-1)5-3-6-4-5;1-2/h1-2,5-6H,3-4H2;1-2H3.
What are the key properties of 1-(azetidin-3-yl)triazole;ethane?
1-(azetidin-3-yl)triazole;ethane has a molecular weight of 154.22 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)triazole;ethane is sourced from PubChem (CID 166547144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).