2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C11H17N5O2 — CID 54884954

IUPAC2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCc1ncn[nH]1
InChIInChI=1S/C11H17N5O2/c17-10(12-6-9-13-8-14-15-9)7-16-5-3-1-2-4-11(16)18/h8H,1-7H2,(H,12,17)(H,13,14,15)
InChIKeyXFJZFUICPCGUFD-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.18
Rot. Bonds4

About 2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54884954) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54884954
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCc1ncn[nH]1
InChIInChI=1S/C11H17N5O2/c17-10(12-6-9-13-8-14-15-9)7-16-5-3-1-2-4-11(16)18/h8H,1-7H2,(H,12,17)(H,13,14,15)
InChIKeyXFJZFUICPCGUFD-UHFFFAOYSA-N
XLogP-0.18
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54884954) is 2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(CN1CCCCCC1=O)NCc1ncn[nH]1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is XFJZFUICPCGUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c17-10(12-6-9-13-8-14-15-9)7-16-5-3-1-2-4-11(16)18/h8H,1-7H2,(H,12,17)(H,13,14,15).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54884954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).