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

C13H16N4O3 — CID 24663723

IUPACN-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2cncn2)c1
InChIInChI=1S/C13H16N4O3/c1-19-10-3-4-12(20-2)11(7-10)16-13(18)5-6-17-9-14-8-15-17/h3-4,7-9H,5-6H2,1-2H3,(H,16,18)
InChIKeyFRULBJIKBLVQSM-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.32
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 24663723) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID24663723
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2cncn2)c1
InChIInChI=1S/C13H16N4O3/c1-19-10-3-4-12(20-2)11(7-10)16-13(18)5-6-17-9-14-8-15-17/h3-4,7-9H,5-6H2,1-2H3,(H,16,18)
InChIKeyFRULBJIKBLVQSM-UHFFFAOYSA-N
XLogP1.32
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,5-dimethoxyphenyl)-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-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47317633
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 3241935
2-[3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 119231845
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 109018366
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
2-(4-aminopyrazol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 43445334
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 739992
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 24663723) is N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide is COc1ccc(OC)c(NC(=O)CCn2cncn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FRULBJIKBLVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-19-10-3-4-12(20-2)11(7-10)16-13(18)5-6-17-9-14-8-15-17/h3-4,7-9H,5-6H2,1-2H3,(H,16,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 276.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 24663723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).