N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide

C10H10FN5O — CID 103789698

IUPACN-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1ccc(F)nc1
InChIInChI=1S/C10H10FN5O/c11-9-2-1-8(7-12-9)14-10(17)3-5-16-6-4-13-15-16/h1-2,4,6-7H,3,5H2,(H,14,17)
InChIKeyRRWNMNRGNPUHDV-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.84
Rot. Bonds4

About N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide

N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide (PubChem CID 103789698) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide
PubChem CID103789698
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC NameN-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1ccc(F)nc1
InChIInChI=1S/C10H10FN5O/c11-9-2-1-8(7-12-9)14-10(17)3-5-16-6-4-13-15-16/h1-2,4,6-7H,3,5H2,(H,14,17)
InChIKeyRRWNMNRGNPUHDV-UHFFFAOYSA-N
XLogP0.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 63257477
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-bromophenyl)-3-(triazol-1-yl)propanamide
CID 43111902
N-(3-iodophenyl)-3-(triazol-1-yl)propanamide
CID 60725374
N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide
CID 63121181
N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide
CID 102820490
N-(4-bromo-3,5-dimethylphenyl)-3-(triazol-1-yl)propanamide
CID 106491096
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
N-(4-bromo-2-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 43111903
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
CID 103789587

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide (CID 103789698) is N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)Nc1ccc(F)nc1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide?
The InChIKey is RRWNMNRGNPUHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c11-9-2-1-8(7-12-9)14-10(17)3-5-16-6-4-13-15-16/h1-2,4,6-7H,3,5H2,(H,14,17).
What are the key properties of N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide?
N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide has a molecular weight of 235.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 103789698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).