2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide

C11H19N5O2 — CID 118796223

IUPAC2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)CNC(C)=O)c1ncnn1CC
InChIInChI=1S/C11H19N5O2/c1-4-9(11-13-7-14-16(11)5-2)15-10(18)6-12-8(3)17/h7,9H,4-6H2,1-3H3,(H,12,17)(H,15,18)
InChIKeyPSZACNPAVWRMET-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.00
Rot. Bonds6

About 2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide

2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 118796223) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID118796223
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)CNC(C)=O)c1ncnn1CC
InChIInChI=1S/C11H19N5O2/c1-4-9(11-13-7-14-16(11)5-2)15-10(18)6-12-8(3)17/h7,9H,4-6H2,1-3H3,(H,12,17)(H,15,18)
InChIKeyPSZACNPAVWRMET-UHFFFAOYSA-N
XLogP0.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of 2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide (CID 118796223) is 2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide is CCC(NC(=O)CNC(C)=O)c1ncnn1CC.
What is the InChIKey of 2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is PSZACNPAVWRMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-9(11-13-7-14-16(11)5-2)15-10(18)6-12-8(3)17/h7,9H,4-6H2,1-3H3,(H,12,17)(H,15,18).
What are the key properties of 2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 253.31 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 118796223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).