1-(azetidin-3-ylmethyl)triazole

C6H10N4 — CID 86262226

IUPAC1-(azetidin-3-ylmethyl)triazole
SMILESc1cn(CC2CNC2)nn1
InChIInChI=1S/C6H10N4/c1-2-10(9-8-1)5-6-3-7-4-6/h1-2,6-7H,3-5H2
InChIKeyRIZHHAAWDMVDGI-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.50
Rot. Bonds2

About 1-(azetidin-3-ylmethyl)triazole

1-(azetidin-3-ylmethyl)triazole (PubChem CID 86262226) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)triazole.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)triazole
PubChem CID86262226
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-(azetidin-3-ylmethyl)triazole
SMILESc1cn(CC2CNC2)nn1
InChIInChI=1S/C6H10N4/c1-2-10(9-8-1)5-6-3-7-4-6/h1-2,6-7H,3-5H2
InChIKeyRIZHHAAWDMVDGI-UHFFFAOYSA-N
XLogP-0.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)triazole?
The IUPAC name of 1-(azetidin-3-ylmethyl)triazole (CID 86262226) is 1-(azetidin-3-ylmethyl)triazole.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)triazole?
The canonical SMILES for 1-(azetidin-3-ylmethyl)triazole is c1cn(CC2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)triazole?
The InChIKey is RIZHHAAWDMVDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-10(9-8-1)5-6-3-7-4-6/h1-2,6-7H,3-5H2.
What are the key properties of 1-(azetidin-3-ylmethyl)triazole?
1-(azetidin-3-ylmethyl)triazole has a molecular weight of 138.17 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)triazole is sourced from PubChem (CID 86262226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).