1-(azetidin-3-yl)triazole

C5H8N4 — CID 19005993

IUPAC1-(azetidin-3-yl)triazole
SMILESc1cn(C2CNC2)nn1
InChIInChI=1S/C5H8N4/c1-2-9(8-7-1)5-3-6-4-5/h1-2,5-6H,3-4H2
InChIKeyNCACHQJLGMVJNS-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.58
Rot. Bonds1

About 1-(azetidin-3-yl)triazole

1-(azetidin-3-yl)triazole (PubChem CID 19005993) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 1-(azetidin-3-yl)triazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)triazole
PubChem CID19005993
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name1-(azetidin-3-yl)triazole
SMILESc1cn(C2CNC2)nn1
InChIInChI=1S/C5H8N4/c1-2-9(8-7-1)5-3-6-4-5/h1-2,5-6H,3-4H2
InChIKeyNCACHQJLGMVJNS-UHFFFAOYSA-N
XLogP-0.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.58
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?
The IUPAC name of 1-(azetidin-3-yl)triazole (CID 19005993) is 1-(azetidin-3-yl)triazole.
What is the SMILES notation for 1-(azetidin-3-yl)triazole?
The canonical SMILES for 1-(azetidin-3-yl)triazole is c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)triazole?
The InChIKey is NCACHQJLGMVJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-9(8-7-1)5-3-6-4-5/h1-2,5-6H,3-4H2.
What are the key properties of 1-(azetidin-3-yl)triazole?
1-(azetidin-3-yl)triazole has a molecular weight of 124.15 g/mol, XLogP of -0.58, 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 is sourced from PubChem (CID 19005993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).