4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine

C13H15FN4O — CID 122441071

IUPAC4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine
SMILESFc1cccc(Cn2cc(N3CCOCC3)nn2)c1
InChIInChI=1S/C13H15FN4O/c14-12-3-1-2-11(8-12)9-18-10-13(15-16-18)17-4-6-19-7-5-17/h1-3,8,10H,4-7,9H2
InChIKeyVHZRBWDADKLZTH-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.30
Rot. Bonds3

About 4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine

4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine (PubChem CID 122441071) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine
PubChem CID122441071
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine
SMILESFc1cccc(Cn2cc(N3CCOCC3)nn2)c1
InChIInChI=1S/C13H15FN4O/c14-12-3-1-2-11(8-12)9-18-10-13(15-16-18)17-4-6-19-7-5-17/h1-3,8,10H,4-7,9H2
InChIKeyVHZRBWDADKLZTH-UHFFFAOYSA-N
XLogP1.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine?
The IUPAC name of 4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine (CID 122441071) is 4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine.
What is the SMILES notation for 4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine?
The canonical SMILES for 4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine is Fc1cccc(Cn2cc(N3CCOCC3)nn2)c1.
What is the InChIKey of 4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine?
The InChIKey is VHZRBWDADKLZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-12-3-1-2-11(8-12)9-18-10-13(15-16-18)17-4-6-19-7-5-17/h1-3,8,10H,4-7,9H2.
What are the key properties of 4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine?
4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine has a molecular weight of 262.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]morpholine is sourced from PubChem (CID 122441071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).