2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide

C17H16FN5O — CID 16674362

IUPAC2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1nc(-c2cccnc2)n[nH]1
InChIInChI=1S/C17H16FN5O/c18-14-5-3-12(4-6-14)10-16(24)20-9-7-15-21-17(23-22-15)13-2-1-8-19-11-13/h1-6,8,11H,7,9-10H2,(H,20,24)(H,21,22,23)
InChIKeyAOUAXTCFHRVLGY-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.91
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 16674362) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID16674362
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1nc(-c2cccnc2)n[nH]1
InChIInChI=1S/C17H16FN5O/c18-14-5-3-12(4-6-14)10-16(24)20-9-7-15-21-17(23-22-15)13-2-1-8-19-11-13/h1-6,8,11H,7,9-10H2,(H,20,24)(H,21,22,23)
InChIKeyAOUAXTCFHRVLGY-UHFFFAOYSA-N
XLogP1.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 16674362) is 2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCc1nc(-c2cccnc2)n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is AOUAXTCFHRVLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-14-5-3-12(4-6-14)10-16(24)20-9-7-15-21-17(23-22-15)13-2-1-8-19-11-13/h1-6,8,11H,7,9-10H2,(H,20,24)(H,21,22,23).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 325.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 16674362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).