N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide

C10H16N4O3 — CID 104817850

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide
SMILESCCOc1n[nH]c(NC(=O)CC2CCCO2)n1
InChIInChI=1S/C10H16N4O3/c1-2-16-10-12-9(13-14-10)11-8(15)6-7-4-3-5-17-7/h7H,2-6H2,1H3,(H2,11,12,13,14,15)
InChIKeyBNBOCTVKQQJERE-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.71
Rot. Bonds5

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide (PubChem CID 104817850) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide
PubChem CID104817850
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide
SMILESCCOc1n[nH]c(NC(=O)CC2CCCO2)n1
InChIInChI=1S/C10H16N4O3/c1-2-16-10-12-9(13-14-10)11-8(15)6-7-4-3-5-17-7/h7H,2-6H2,1H3,(H2,11,12,13,14,15)
InChIKeyBNBOCTVKQQJERE-UHFFFAOYSA-N
XLogP0.71
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide
CID 78928233
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 104817461
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155965
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide
CID 65159293
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 83102546
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
N-(6-chloropyrazin-2-yl)-2-(oxolan-2-yl)acetamide
CID 104819962
1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 104818238
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 47461932

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide (CID 104817850) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide is CCOc1n[nH]c(NC(=O)CC2CCCO2)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide?
The InChIKey is BNBOCTVKQQJERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-16-10-12-9(13-14-10)11-8(15)6-7-4-3-5-17-7/h7H,2-6H2,1H3,(H2,11,12,13,14,15).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide has a molecular weight of 240.26 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 104817850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).