N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide

C8H14N4O3 — CID 112603305

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide
SMILESCOc1n[nH]c(NC(=O)COC(C)C)n1
InChIInChI=1S/C8H14N4O3/c1-5(2)15-4-6(13)9-7-10-8(14-3)12-11-7/h5H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyOBNDTKJDNDTBQW-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.18
Rot. Bonds5

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide (PubChem CID 112603305) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide
PubChem CID112603305
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide
SMILESCOc1n[nH]c(NC(=O)COC(C)C)n1
InChIInChI=1S/C8H14N4O3/c1-5(2)15-4-6(13)9-7-10-8(14-3)12-11-7/h5H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyOBNDTKJDNDTBQW-UHFFFAOYSA-N
XLogP0.18
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide 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

4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
CID 83095957
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603304
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide
CID 83093695
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
CID 83092837
2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83092748
3-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide
CID 83101437
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide
CID 83093046
N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 83097711
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-2-ylacetamide
CID 83101826

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide (CID 112603305) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide is COc1n[nH]c(NC(=O)COC(C)C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide?
The InChIKey is OBNDTKJDNDTBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-5(2)15-4-6(13)9-7-10-8(14-3)12-11-7/h5H,4H2,1-3H3,(H2,9,10,11,12,13).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide has a molecular weight of 214.22 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112603305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).