N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide

C11H12FN5O — CID 63257477

IUPACN-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
SMILESNc1cc(NC(=O)CCn2ccnn2)ccc1F
InChIInChI=1S/C11H12FN5O/c12-9-2-1-8(7-10(9)13)15-11(18)3-5-17-6-4-14-16-17/h1-2,4,6-7H,3,5,13H2,(H,15,18)
InChIKeyVNKZAPJPJCIESA-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.03
Rot. Bonds4

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

N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide (PubChem CID 63257477) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
PubChem CID63257477
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
SMILESNc1cc(NC(=O)CCn2ccnn2)ccc1F
InChIInChI=1S/C11H12FN5O/c12-9-2-1-8(7-10(9)13)15-11(18)3-5-17-6-4-14-16-17/h1-2,4,6-7H,3,5,13H2,(H,15,18)
InChIKeyVNKZAPJPJCIESA-UHFFFAOYSA-N
XLogP1.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide
CID 103789698
N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
CID 16790819
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
2-hydroxy-4-[3-(triazol-1-yl)propanoylamino]benzoic acid
CID 28790453
N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
CID 103824710
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
N-(3-iodophenyl)-3-(triazol-1-yl)propanamide
CID 60725374
N-(3-bromophenyl)-3-(triazol-1-yl)propanamide
CID 43111902
N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 61402367
N-(3-amino-4-fluorophenyl)-3-(3-cyano-1,2,4-triazol-1-yl)propanamide
CID 62952386
N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide
CID 63121181
N-(4-bromo-2-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 43111903

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide (CID 63257477) is N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide is Nc1cc(NC(=O)CCn2ccnn2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide?
The InChIKey is VNKZAPJPJCIESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-9-2-1-8(7-10(9)13)15-11(18)3-5-17-6-4-14-16-17/h1-2,4,6-7H,3,5,13H2,(H,15,18).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide has a molecular weight of 249.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 63257477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).