N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide

C12H13FN4O — CID 122441047

IUPACN-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C12H13FN4O/c1-2-12(18)14-11-8-17(16-15-11)7-9-3-5-10(13)6-4-9/h3-6,8H,2,7H2,1H3,(H,14,18)
InChIKeyURONNHIZCUYOIT-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.81
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide

N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide (PubChem CID 122441047) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide
PubChem CID122441047
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C12H13FN4O/c1-2-12(18)14-11-8-17(16-15-11)7-9-3-5-10(13)6-4-9/h3-6,8H,2,7H2,1H3,(H,14,18)
InChIKeyURONNHIZCUYOIT-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide (CID 122441047) is N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(Cc2ccc(F)cc2)nn1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide?
The InChIKey is URONNHIZCUYOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-2-12(18)14-11-8-17(16-15-11)7-9-3-5-10(13)6-4-9/h3-6,8H,2,7H2,1H3,(H,14,18).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide?
N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide has a molecular weight of 248.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide is sourced from PubChem (CID 122441047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).