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

C11H11FN4O — CID 5306456

IUPACN-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN4O/c12-9-1-3-10(4-2-9)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17)
InChIKeyCPVHPLXRSOEVSX-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.45
Rot. Bonds4

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

N-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 5306456) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID5306456
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC NameN-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN4O/c12-9-1-3-10(4-2-9)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17)
InChIKeyCPVHPLXRSOEVSX-UHFFFAOYSA-N
XLogP1.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 5306456) is N-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is CPVHPLXRSOEVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-9-1-3-10(4-2-9)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17).
What are the key properties of N-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 234.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 5306456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).