(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

C18H14F3N5O2 — CID 122251211

IUPAC(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C18H14F3N5O2/c19-18(20,21)12-6-7-22-16(8-12)28-14-10-25(11-14)17(27)15-9-23-26(24-15)13-4-2-1-3-5-13/h1-9,14H,10-11H2
InChIKeyASUUVFWZRLXYBJ-UHFFFAOYSA-N
MW389.34 g/mol
LogP2.58
Rot. Bonds4

About (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (PubChem CID 122251211) has the molecular formula C18H14F3N5O2 and a molecular weight of 389.34 g/mol. Its IUPAC name is (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
PubChem CID122251211
Molecular FormulaC18H14F3N5O2
Molecular Weight389.34 g/mol
Exact Mass389.11
IUPAC Name(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C18H14F3N5O2/c19-18(20,21)12-6-7-22-16(8-12)28-14-10-25(11-14)17(27)15-9-23-26(24-15)13-4-2-1-3-5-13/h1-9,14H,10-11H2
InChIKeyASUUVFWZRLXYBJ-UHFFFAOYSA-N
XLogP2.58
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The IUPAC name of (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (CID 122251211) is (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is O=C(c1cnn(-c2ccccc2)n1)N1CC(Oc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The InChIKey is ASUUVFWZRLXYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O2/c19-18(20,21)12-6-7-22-16(8-12)28-14-10-25(11-14)17(27)15-9-23-26(24-15)13-4-2-1-3-5-13/h1-9,14H,10-11H2.
What are the key properties of (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone has a molecular weight of 389.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122251211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).