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

C9H12N4O — CID 60740516

IUPAC2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CC1C=CCC1)Nc1ncn[nH]1
InChIInChI=1S/C9H12N4O/c14-8(5-7-3-1-2-4-7)12-9-10-6-11-13-9/h1,3,6-7H,2,4-5H2,(H2,10,11,12,13,14)
InChIKeyIMIMULOUVAUEAF-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.10
Rot. Bonds3

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

2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 60740516) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID60740516
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CC1C=CCC1)Nc1ncn[nH]1
InChIInChI=1S/C9H12N4O/c14-8(5-7-3-1-2-4-7)12-9-10-6-11-13-9/h1,3,6-7H,2,4-5H2,(H2,10,11,12,13,14)
InChIKeyIMIMULOUVAUEAF-UHFFFAOYSA-N
XLogP1.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64529229
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 7454382
2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 131945624
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
2-[(1S)-cyclopent-2-en-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26192949
N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 97007964
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 103730318
N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 71849772
2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide
CID 52524469
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43806493
2-(1-adamantyl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 17285399
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 60740516) is 2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(CC1C=CCC1)Nc1ncn[nH]1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is IMIMULOUVAUEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c14-8(5-7-3-1-2-4-7)12-9-10-6-11-13-9/h1,3,6-7H,2,4-5H2,(H2,10,11,12,13,14).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 192.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 60740516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).