ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate

C14H24N4O2 — CID 79571764

IUPACethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC1CCn1cncn1
InChIInChI=1S/C14H24N4O2/c1-3-16-14(13(19)20-4-2)8-5-6-12(14)7-9-18-11-15-10-17-18/h10-12,16H,3-9H2,1-2H3
InChIKeyMOLLXOMCUBBEFN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.38
Rot. Bonds7

About ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate

ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate (PubChem CID 79571764) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
PubChem CID79571764
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nameethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC1CCn1cncn1
InChIInChI=1S/C14H24N4O2/c1-3-16-14(13(19)20-4-2)8-5-6-12(14)7-9-18-11-15-10-17-18/h10-12,16H,3-9H2,1-2H3
InChIKeyMOLLXOMCUBBEFN-UHFFFAOYSA-N
XLogP1.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate (CID 79571764) is ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCCC1CCn1cncn1.
What is the InChIKey of ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is MOLLXOMCUBBEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-16-14(13(19)20-4-2)8-5-6-12(14)7-9-18-11-15-10-17-18/h10-12,16H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate?
ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79571764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).