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

C20H22FN5O — CID 134809498

IUPAC4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine
SMILESCc1nnc(-c2cc(-c3cccc(F)c3)ccn2)n1CCN1CCOCC1
InChIInChI=1S/C20H22FN5O/c1-15-23-24-20(26(15)8-7-25-9-11-27-12-10-25)19-14-17(5-6-22-19)16-3-2-4-18(21)13-16/h2-6,13-14H,7-12H2,1H3
InChIKeyJYDKSKPYITUBHH-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.79
Rot. Bonds5

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

4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine (PubChem CID 134809498) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine
PubChem CID134809498
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine
SMILESCc1nnc(-c2cc(-c3cccc(F)c3)ccn2)n1CCN1CCOCC1
InChIInChI=1S/C20H22FN5O/c1-15-23-24-20(26(15)8-7-25-9-11-27-12-10-25)19-14-17(5-6-22-19)16-3-2-4-18(21)13-16/h2-6,13-14H,7-12H2,1H3
InChIKeyJYDKSKPYITUBHH-UHFFFAOYSA-N
XLogP2.79
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine (CID 134809498) is 4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine is Cc1nnc(-c2cc(-c3cccc(F)c3)ccn2)n1CCN1CCOCC1.
What is the InChIKey of 4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine?
The InChIKey is JYDKSKPYITUBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-15-23-24-20(26(15)8-7-25-9-11-27-12-10-25)19-14-17(5-6-22-19)16-3-2-4-18(21)13-16/h2-6,13-14H,7-12H2,1H3.
What are the key properties of 4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine?
4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine has a molecular weight of 367.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[4-(3-fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine is sourced from PubChem (CID 134809498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).