2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide

C12H19N5O — CID 114154047

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide
SMILESNCc1cn(CC(=O)NCCC2=CCCC2)nn1
InChIInChI=1S/C12H19N5O/c13-7-11-8-17(16-15-11)9-12(18)14-6-5-10-3-1-2-4-10/h3,8H,1-2,4-7,9,13H2,(H,14,18)
InChIKeyPXSFPKXHJPEJPL-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.35
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide (PubChem CID 114154047) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide
PubChem CID114154047
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide
SMILESNCc1cn(CC(=O)NCCC2=CCCC2)nn1
InChIInChI=1S/C12H19N5O/c13-7-11-8-17(16-15-11)9-12(18)14-6-5-10-3-1-2-4-10/h3,8H,1-2,4-7,9,13H2,(H,14,18)
InChIKeyPXSFPKXHJPEJPL-UHFFFAOYSA-N
XLogP0.35
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 115458989
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 115458883
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 115459572
2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide
CID 115459869
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide
CID 115459933
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(cyclopenten-1-yl)ethyl]acetamide
CID 106163896
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 115459604
1-[[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115460265
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide (CID 114154047) is 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide is NCc1cn(CC(=O)NCCC2=CCCC2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide?
The InChIKey is PXSFPKXHJPEJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-7-11-8-17(16-15-11)9-12(18)14-6-5-10-3-1-2-4-10/h3,8H,1-2,4-7,9,13H2,(H,14,18).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide has a molecular weight of 249.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide is sourced from PubChem (CID 114154047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).