1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone

C17H21N5O2 — CID 167833562

IUPAC1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone
SMILESO=C(Cc1cnn(-c2ccccc2)n1)N1CC(N2CCOCC2)C1
InChIInChI=1S/C17H21N5O2/c23-17(21-12-16(13-21)20-6-8-24-9-7-20)10-14-11-18-22(19-14)15-4-2-1-3-5-15/h1-5,11,16H,6-10,12-13H2
InChIKeyVRCXEUYZHONASO-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.35
Rot. Bonds4

About 1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone

1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone (PubChem CID 167833562) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone
PubChem CID167833562
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone
SMILESO=C(Cc1cnn(-c2ccccc2)n1)N1CC(N2CCOCC2)C1
InChIInChI=1S/C17H21N5O2/c23-17(21-12-16(13-21)20-6-8-24-9-7-20)10-14-11-18-22(19-14)15-4-2-1-3-5-15/h1-5,11,16H,6-10,12-13H2
InChIKeyVRCXEUYZHONASO-UHFFFAOYSA-N
XLogP0.35
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone?
The IUPAC name of 1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone (CID 167833562) is 1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone is O=C(Cc1cnn(-c2ccccc2)n1)N1CC(N2CCOCC2)C1.
What is the InChIKey of 1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone?
The InChIKey is VRCXEUYZHONASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-17(21-12-16(13-21)20-6-8-24-9-7-20)10-14-11-18-22(19-14)15-4-2-1-3-5-15/h1-5,11,16H,6-10,12-13H2.
What are the key properties of 1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone?
1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone has a molecular weight of 327.39 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone is sourced from PubChem (CID 167833562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).