N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide

C11H12BrN5O — CID 79048664

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1nc(NC(=O)C(C)n2cncn2)ccc1Br
InChIInChI=1S/C11H12BrN5O/c1-7-9(12)3-4-10(15-7)16-11(18)8(2)17-6-13-5-14-17/h3-6,8H,1-2H3,(H,15,16,18)
InChIKeyVIZBRKWZQMFARM-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.94
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 79048664) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID79048664
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1nc(NC(=O)C(C)n2cncn2)ccc1Br
InChIInChI=1S/C11H12BrN5O/c1-7-9(12)3-4-10(15-7)16-11(18)8(2)17-6-13-5-14-17/h3-6,8H,1-2H3,(H,15,16,18)
InChIKeyVIZBRKWZQMFARM-UHFFFAOYSA-N
XLogP1.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
N-(4-bromo-3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 113231155
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
CID 79018492
N-(2-bromo-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 81028083
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 61400915
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60803551
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide
CID 119050352
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
5-bromo-2-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 55622456
5-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 61405860

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 79048664) is N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide is Cc1nc(NC(=O)C(C)n2cncn2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is VIZBRKWZQMFARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-7-9(12)3-4-10(15-7)16-11(18)8(2)17-6-13-5-14-17/h3-6,8H,1-2H3,(H,15,16,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 310.16 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 79048664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).