N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide

C7H12N4O2 — CID 54369226

IUPACN-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide
SMILESCCNC(=O)COCc1ncn[nH]1
InChIInChI=1S/C7H12N4O2/c1-2-8-7(12)4-13-3-6-9-5-10-11-6/h5H,2-4H2,1H3,(H,8,12)(H,9,10,11)
InChIKeyRDKNAPGDXKCPOA-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.54
Rot. Bonds5

About N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide

N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide (PubChem CID 54369226) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide
PubChem CID54369226
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC NameN-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide
SMILESCCNC(=O)COCc1ncn[nH]1
InChIInChI=1S/C7H12N4O2/c1-2-8-7(12)4-13-3-6-9-5-10-11-6/h5H,2-4H2,1H3,(H,8,12)(H,9,10,11)
InChIKeyRDKNAPGDXKCPOA-UHFFFAOYSA-N
XLogP-0.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide?
The IUPAC name of N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide (CID 54369226) is N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide.
What is the SMILES notation for N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide?
The canonical SMILES for N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide is CCNC(=O)COCc1ncn[nH]1.
What is the InChIKey of N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide?
The InChIKey is RDKNAPGDXKCPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-2-8-7(12)4-13-3-6-9-5-10-11-6/h5H,2-4H2,1H3,(H,8,12)(H,9,10,11).
What are the key properties of N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide?
N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide has a molecular weight of 184.20 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide is sourced from PubChem (CID 54369226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).