1-(azetidin-3-ylmethyl)-4-phenyltriazole

C12H14N4 — CID 86262228

IUPAC1-(azetidin-3-ylmethyl)-4-phenyltriazole
SMILESc1ccc(-c2cn(CC3CNC3)nn2)cc1
InChIInChI=1S/C12H14N4/c1-2-4-11(5-3-1)12-9-16(15-14-12)8-10-6-13-7-10/h1-5,9-10,13H,6-8H2
InChIKeyPERZDVGWWXKNKV-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.16
Rot. Bonds3

About 1-(azetidin-3-ylmethyl)-4-phenyltriazole

1-(azetidin-3-ylmethyl)-4-phenyltriazole (PubChem CID 86262228) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-4-phenyltriazole
PubChem CID86262228
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-(azetidin-3-ylmethyl)-4-phenyltriazole
SMILESc1ccc(-c2cn(CC3CNC3)nn2)cc1
InChIInChI=1S/C12H14N4/c1-2-4-11(5-3-1)12-9-16(15-14-12)8-10-6-13-7-10/h1-5,9-10,13H,6-8H2
InChIKeyPERZDVGWWXKNKV-UHFFFAOYSA-N
XLogP1.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-4-phenyltriazole?
The IUPAC name of 1-(azetidin-3-ylmethyl)-4-phenyltriazole (CID 86262228) is 1-(azetidin-3-ylmethyl)-4-phenyltriazole.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-4-phenyltriazole?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-4-phenyltriazole is c1ccc(-c2cn(CC3CNC3)nn2)cc1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-4-phenyltriazole?
The InChIKey is PERZDVGWWXKNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-4-11(5-3-1)12-9-16(15-14-12)8-10-6-13-7-10/h1-5,9-10,13H,6-8H2.
What are the key properties of 1-(azetidin-3-ylmethyl)-4-phenyltriazole?
1-(azetidin-3-ylmethyl)-4-phenyltriazole has a molecular weight of 214.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-4-phenyltriazole is sourced from PubChem (CID 86262228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).