N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide

C12H13BrN4O2 — CID 47317633

IUPACN-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(Br)cc1NC(=O)CCn1cncn1
InChIInChI=1S/C12H13BrN4O2/c1-19-11-3-2-9(13)6-10(11)16-12(18)4-5-17-8-14-7-15-17/h2-3,6-8H,4-5H2,1H3,(H,16,18)
InChIKeyKVCVWWCAKFRINH-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.08
Rot. Bonds5

About N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 47317633) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID47317633
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(Br)cc1NC(=O)CCn1cncn1
InChIInChI=1S/C12H13BrN4O2/c1-19-11-3-2-9(13)6-10(11)16-12(18)4-5-17-8-14-7-15-17/h2-3,6-8H,4-5H2,1H3,(H,16,18)
InChIKeyKVCVWWCAKFRINH-UHFFFAOYSA-N
XLogP2.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-2-methoxyphenyl)-3-(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

N-(2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511456
N-(2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 698772
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 72003682
N-(4-methoxyphenyl)-2-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 16004409
4-bromo-N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]-2-(trifluoromethoxy)aniline
CID 156538578
N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47138860
N-[3-(1,2,4-triazol-1-yl)propyl]-N'-[2-(trifluoromethoxy)phenyl]oxamide
CID 51116965
N-(2-fluoro-6-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 56783080
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 61016307
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 61016921
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 61513483
5-Bromo-4-fluoro-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]aniline
CID 81627481

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 47317633) is N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide is COc1ccc(Br)cc1NC(=O)CCn1cncn1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KVCVWWCAKFRINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-19-11-3-2-9(13)6-10(11)16-12(18)4-5-17-8-14-7-15-17/h2-3,6-8H,4-5H2,1H3,(H,16,18).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 325.17 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 47317633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).