ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate

C14H24N4O2 — CID 79571488

IUPACethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCn1nc(C)nc1C
InChIInChI=1S/C14H24N4O2/c1-4-20-13(19)14(15)8-5-6-12(14)7-9-18-11(3)16-10(2)17-18/h12H,4-9,15H2,1-3H3
InChIKeyVYJJGXSQKWUNAD-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.35
Rot. Bonds5

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

ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate (PubChem CID 79571488) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
PubChem CID79571488
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nameethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCn1nc(C)nc1C
InChIInChI=1S/C14H24N4O2/c1-4-20-13(19)14(15)8-5-6-12(14)7-9-18-11(3)16-10(2)17-18/h12H,4-9,15H2,1-3H3
InChIKeyVYJJGXSQKWUNAD-UHFFFAOYSA-N
XLogP1.35
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate (CID 79571488) is ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCCC1CCn1nc(C)nc1C.
What is the InChIKey of ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is VYJJGXSQKWUNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-20-13(19)14(15)8-5-6-12(14)7-9-18-11(3)16-10(2)17-18/h12H,4-9,15H2,1-3H3.
What are the key properties of ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate?
ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79571488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).