N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide

C10H10BrN5O — CID 103789384

IUPACN-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccc(Br)nc1
InChIInChI=1S/C10H10BrN5O/c11-9-2-1-8(5-13-9)15-10(17)3-4-16-7-12-6-14-16/h1-2,5-7H,3-4H2,(H,15,17)
InChIKeyPIAKOOLYOURZJF-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.46
Rot. Bonds4

About N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 103789384) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID103789384
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC NameN-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccc(Br)nc1
InChIInChI=1S/C10H10BrN5O/c11-9-2-1-8(5-13-9)15-10(17)3-4-16-7-12-6-14-16/h1-2,5-7H,3-4H2,(H,15,17)
InChIKeyPIAKOOLYOURZJF-UHFFFAOYSA-N
XLogP1.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.46
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-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28788777
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 62034643
3-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]propanoic acid
CID 81366961
N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 60709326
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646
N-(4-bromo-2,6-difluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 65499520
2-fluoro-5-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 60750143
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751
N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide
CID 103789408
N-(2-chloropyrimidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 116798461

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 103789384) is N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is PIAKOOLYOURZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c11-9-2-1-8(5-13-9)15-10(17)3-4-16-7-12-6-14-16/h1-2,5-7H,3-4H2,(H,15,17).
What are the key properties of N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 296.13 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 103789384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).