2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C11H16N4O — CID 64512826

IUPAC2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CC1C=CCC1
InChIInChI=1S/C11H16N4O/c1-15(7-10-12-8-13-14-10)11(16)6-9-4-2-3-5-9/h2,4,8-9H,3,5-7H2,1H3,(H,12,13,14)
InChIKeyKNCBEUNFFSVNNI-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.12
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64512826) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64512826
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CC1C=CCC1
InChIInChI=1S/C11H16N4O/c1-15(7-10-12-8-13-14-10)11(16)6-9-4-2-3-5-9/h2,4,8-9H,3,5-7H2,1H3,(H,12,13,14)
InChIKeyKNCBEUNFFSVNNI-UHFFFAOYSA-N
XLogP1.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-cyclopent-2-en-1-yl-N-methyl-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-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64512826) is 2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CN(Cc1ncn[nH]1)C(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is KNCBEUNFFSVNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15(7-10-12-8-13-14-10)11(16)6-9-4-2-3-5-9/h2,4,8-9H,3,5-7H2,1H3,(H,12,13,14).
What are the key properties of 2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 220.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64512826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).