3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide

C12H13FN4O — CID 71849327

IUPAC3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1ncnc1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c1-17-12(14-8-15-17)16-11(18)7-4-9-2-5-10(13)6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H,14,15,16,18)
InChIKeyHYQCIFAGJSXGNG-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.53
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide

3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 71849327) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID71849327
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1ncnc1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c1-17-12(14-8-15-17)16-11(18)7-4-9-2-5-10(13)6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H,14,15,16,18)
InChIKeyHYQCIFAGJSXGNG-UHFFFAOYSA-N
XLogP1.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide (CID 71849327) is 3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide is Cn1ncnc1NC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is HYQCIFAGJSXGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-17-12(14-8-15-17)16-11(18)7-4-9-2-5-10(13)6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H,14,15,16,18).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 248.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 71849327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).