N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide

C12H13FN4O — CID 86789662

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide
SMILESCc1nc(NC(=O)Cc2ccccc2F)n(C)n1
InChIInChI=1S/C12H13FN4O/c1-8-14-12(17(2)16-8)15-11(18)7-9-5-3-4-6-10(9)13/h3-6H,7H2,1-2H3,(H,14,15,16,18)
InChIKeyKNSWDDUDLNOQCQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.44
Rot. Bonds3

About N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide (PubChem CID 86789662) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide
PubChem CID86789662
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide
SMILESCc1nc(NC(=O)Cc2ccccc2F)n(C)n1
InChIInChI=1S/C12H13FN4O/c1-8-14-12(17(2)16-8)15-11(18)7-9-5-3-4-6-10(9)13/h3-6H,7H2,1-2H3,(H,14,15,16,18)
InChIKeyKNSWDDUDLNOQCQ-UHFFFAOYSA-N
XLogP1.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide (CID 86789662) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide is Cc1nc(NC(=O)Cc2ccccc2F)n(C)n1.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide?
The InChIKey is KNSWDDUDLNOQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-8-14-12(17(2)16-8)15-11(18)7-9-5-3-4-6-10(9)13/h3-6H,7H2,1-2H3,(H,14,15,16,18).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide has a molecular weight of 248.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 86789662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).