4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine

C17H23FN4O — CID 72915062

IUPAC4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine
SMILESCc1nc(CCCN2CCOCC2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H23FN4O/c1-14-19-17(3-2-8-21-9-11-23-12-10-21)22(20-14)13-15-4-6-16(18)7-5-15/h4-7H,2-3,8-13H2,1H3
InChIKeyIKUNQFZCRATDOT-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.04
Rot. Bonds6

About 4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine

4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine (PubChem CID 72915062) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine
PubChem CID72915062
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine
SMILESCc1nc(CCCN2CCOCC2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H23FN4O/c1-14-19-17(3-2-8-21-9-11-23-12-10-21)22(20-14)13-15-4-6-16(18)7-5-15/h4-7H,2-3,8-13H2,1H3
InChIKeyIKUNQFZCRATDOT-UHFFFAOYSA-N
XLogP2.04
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine (CID 72915062) is 4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine is Cc1nc(CCCN2CCOCC2)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine?
The InChIKey is IKUNQFZCRATDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-14-19-17(3-2-8-21-9-11-23-12-10-21)22(20-14)13-15-4-6-16(18)7-5-15/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine?
4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine has a molecular weight of 318.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine is sourced from PubChem (CID 72915062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).