ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate

C10H16N4O2 — CID 79471743

IUPACethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(N)n[nH]2)CCCC1
InChIInChI=1S/C10H16N4O2/c1-2-16-8(15)10(5-3-4-6-10)7-12-9(11)14-13-7/h2-6H2,1H3,(H3,11,12,13,14)
InChIKeyJGYGFOXUNGKJSB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.76
Rot. Bonds3

About ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate

ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate (PubChem CID 79471743) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate
PubChem CID79471743
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nameethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(N)n[nH]2)CCCC1
InChIInChI=1S/C10H16N4O2/c1-2-16-8(15)10(5-3-4-6-10)7-12-9(11)14-13-7/h2-6H2,1H3,(H3,11,12,13,14)
InChIKeyJGYGFOXUNGKJSB-UHFFFAOYSA-N
XLogP0.76
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate 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 ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate (CID 79471743) is ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(c2nc(N)n[nH]2)CCCC1.
What is the InChIKey of ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate?
The InChIKey is JGYGFOXUNGKJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-16-8(15)10(5-3-4-6-10)7-12-9(11)14-13-7/h2-6H2,1H3,(H3,11,12,13,14).
What are the key properties of ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate?
ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79471743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).