ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate

C15H23N3O2 — CID 79471147

IUPACethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C3CCCC3)nn2C)CCC1
InChIInChI=1S/C15H23N3O2/c1-3-20-14(19)15(9-6-10-15)13-16-12(17-18(13)2)11-7-4-5-8-11/h11H,3-10H2,1-2H3
InChIKeyWDFAYXMFPCFTIK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.46
Rot. Bonds4

About ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate

ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate (PubChem CID 79471147) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate
PubChem CID79471147
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C3CCCC3)nn2C)CCC1
InChIInChI=1S/C15H23N3O2/c1-3-20-14(19)15(9-6-10-15)13-16-12(17-18(13)2)11-7-4-5-8-11/h11H,3-10H2,1-2H3
InChIKeyWDFAYXMFPCFTIK-UHFFFAOYSA-N
XLogP2.46
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate (CID 79471147) is ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate is CCOC(=O)C1(c2nc(C3CCCC3)nn2C)CCC1.
What is the InChIKey of ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate?
The InChIKey is WDFAYXMFPCFTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-14(19)15(9-6-10-15)13-16-12(17-18(13)2)11-7-4-5-8-11/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate?
ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 79471147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).