2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide

C19H18FN5O2 — CID 90047217

IUPAC2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26)
InChIKeyXKCYWGPISGAXMK-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.32
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide

2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide (PubChem CID 90047217) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
PubChem CID90047217
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26)
InChIKeyXKCYWGPISGAXMK-UHFFFAOYSA-N
XLogP2.32
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide (CID 90047217) is 2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide?
The InChIKey is XKCYWGPISGAXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide?
2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 90047217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).