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

C14H21N3O2 — CID 79471623

IUPACethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nnc(C)n2C2CCCC2)CC1
InChIInChI=1S/C14H21N3O2/c1-3-19-13(18)14(8-9-14)12-16-15-10(2)17(12)11-6-4-5-7-11/h11H,3-9H2,1-2H3
InChIKeyXLHFDMLFUUDZJC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.30
Rot. Bonds4

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

ethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate (PubChem CID 79471623) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate
PubChem CID79471623
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nnc(C)n2C2CCCC2)CC1
InChIInChI=1S/C14H21N3O2/c1-3-19-13(18)14(8-9-14)12-16-15-10(2)17(12)11-6-4-5-7-11/h11H,3-9H2,1-2H3
InChIKeyXLHFDMLFUUDZJC-UHFFFAOYSA-N
XLogP2.30
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-[4-cyclopropyl-5-(3-oxobutyl)-1,2,4-triazol-3-yl]propanoate
CID 90130861
ethyl (3R,4R)-4-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-1-methylpyrrolidine-3-carboxylate
CID 121340224
ethyl (3R,4R)-4-[4-cyclopropyl-5-(4,4-dimethylpentyl)-1,2,4-triazol-3-yl]-1-methylpyrrolidine-3-carboxylate
CID 121340239
Ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate
CID 121340272
Ethyl 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate
CID 79471145
Ethyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate
CID 79471146
Ethyl 3-methyl-2-(4-propan-2-yl-1,2,4-triazol-3-yl)butanoate
CID 79471184
Ethyl 4-methyl-2-(4-propan-2-yl-1,2,4-triazol-3-yl)pentanoate
CID 79471185
Ethyl 2-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutanoate
CID 79471190
Ethyl 2-methyl-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propanoate
CID 79471211
Ethyl 2-methyl-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propanoate
CID 79471212
Ethyl 2-ethyl-2-(4-ethyl-1,2,4-triazol-3-yl)butanoate
CID 79471220

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate (CID 79471623) is ethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2nnc(C)n2C2CCCC2)CC1.
What is the InChIKey of ethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
The InChIKey is XLHFDMLFUUDZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-19-13(18)14(8-9-14)12-16-15-10(2)17(12)11-6-4-5-7-11/h11H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
ethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 79471623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).