2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

C13H10FN5O — CID 110490393

IUPAC2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1ccc2cc(F)ccc2n1)Nc1ncn[nH]1
InChIInChI=1S/C13H10FN5O/c14-9-2-4-11-8(5-9)1-3-10(17-11)6-12(20)18-13-15-7-16-19-13/h1-5,7H,6H2,(H2,15,16,18,19,20)
InChIKeyYEZLIGNQFARYDN-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.67
Rot. Bonds3

About 2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 110490393) has the molecular formula C13H10FN5O and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID110490393
Molecular FormulaC13H10FN5O
Molecular Weight271.25 g/mol
Exact Mass271.09
IUPAC Name2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1ccc2cc(F)ccc2n1)Nc1ncn[nH]1
InChIInChI=1S/C13H10FN5O/c14-9-2-4-11-8(5-9)1-3-10(17-11)6-12(20)18-13-15-7-16-19-13/h1-5,7H,6H2,(H2,15,16,18,19,20)
InChIKeyYEZLIGNQFARYDN-UHFFFAOYSA-N
XLogP1.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trifluorophenyl)acetamide
CID 110487509
3-(2-bromo-5-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 75503635
2-(6-fluoroquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 110490409
2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid
CID 110490402
N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487427
2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone
CID 110490426
4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 103829726
3-(6-fluoroquinolin-2-yl)-N-methylpropanamide
CID 110465204
3-(6-fluoroquinolin-2-yl)propanoic acid
CID 82242044
N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529871
2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110451369
3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one
CID 132915457

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 110490393) is 2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1ccc2cc(F)ccc2n1)Nc1ncn[nH]1.
What is the InChIKey of 2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is YEZLIGNQFARYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O/c14-9-2-4-11-8(5-9)1-3-10(17-11)6-12(20)18-13-15-7-16-19-13/h1-5,7H,6H2,(H2,15,16,18,19,20).
What are the key properties of 2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 271.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 110490393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).