morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone

C13H14F3N5O2 — CID 159943110

IUPACmorpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CN(c2ccccc2C(F)(F)F)N=N1
InChIInChI=1S/C13H14F3N5O2/c14-13(15,16)10-3-1-2-4-11(10)20-9-21(18-17-20)12(22)19-5-7-23-8-6-19/h1-4H,5-9H2
InChIKeyWMJGJKGUNBHZHE-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.52
Rot. Bonds1

About morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone

morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone (PubChem CID 159943110) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone
PubChem CID159943110
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC Namemorpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CN(c2ccccc2C(F)(F)F)N=N1
InChIInChI=1S/C13H14F3N5O2/c14-13(15,16)10-3-1-2-4-11(10)20-9-21(18-17-20)12(22)19-5-7-23-8-6-19/h1-4H,5-9H2
InChIKeyWMJGJKGUNBHZHE-UHFFFAOYSA-N
XLogP2.52
TPSA60.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone (CID 159943110) is morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone is O=C(N1CCOCC1)N1CN(c2ccccc2C(F)(F)F)N=N1.
What is the InChIKey of morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone?
The InChIKey is WMJGJKGUNBHZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c14-13(15,16)10-3-1-2-4-11(10)20-9-21(18-17-20)12(22)19-5-7-23-8-6-19/h1-4H,5-9H2.
What are the key properties of morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone?
morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone has a molecular weight of 329.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone is sourced from PubChem (CID 159943110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).