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

C5H9ClN4 — CID 19005992

IUPAC1-(azetidin-3-yl)triazole;hydrochloride
SMILESCl.c1cn(C2CNC2)nn1
InChIInChI=1S/C5H8N4.ClH/c1-2-9(8-7-1)5-3-6-4-5;/h1-2,5-6H,3-4H2;1H
InChIKeyNBXOMVYDGYYKAM-UHFFFAOYSA-N
MW160.61 g/mol
LogP-0.16
Rot. Bonds1

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

1-(azetidin-3-yl)triazole;hydrochloride (PubChem CID 19005992) has the molecular formula C5H9ClN4 and a molecular weight of 160.61 g/mol. Its IUPAC name is 1-(azetidin-3-yl)triazole;hydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)triazole;hydrochloride
PubChem CID19005992
Molecular FormulaC5H9ClN4
Molecular Weight160.61 g/mol
Exact Mass160.05
IUPAC Name1-(azetidin-3-yl)triazole;hydrochloride
SMILESCl.c1cn(C2CNC2)nn1
InChIInChI=1S/C5H8N4.ClH/c1-2-9(8-7-1)5-3-6-4-5;/h1-2,5-6H,3-4H2;1H
InChIKeyNBXOMVYDGYYKAM-UHFFFAOYSA-N
XLogP-0.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.61
LogP ≤ 5-0.16
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;hydrochloride?
The IUPAC name of 1-(azetidin-3-yl)triazole;hydrochloride (CID 19005992) is 1-(azetidin-3-yl)triazole;hydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)triazole;hydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)triazole;hydrochloride is Cl.c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)triazole;hydrochloride?
The InChIKey is NBXOMVYDGYYKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.ClH/c1-2-9(8-7-1)5-3-6-4-5;/h1-2,5-6H,3-4H2;1H.
What are the key properties of 1-(azetidin-3-yl)triazole;hydrochloride?
1-(azetidin-3-yl)triazole;hydrochloride has a molecular weight of 160.61 g/mol, XLogP of -0.16, 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;hydrochloride is sourced from PubChem (CID 19005992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).