cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate

C15H22N4O2 — CID 121190670

IUPACcyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
SMILESO=C(OCC1CCC1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H22N4O2/c20-15(21-10-11-2-1-3-11)18-7-6-13(8-18)19-9-14(16-17-19)12-4-5-12/h9,11-13H,1-8,10H2
InChIKeyXUFQXJAYGLBIDC-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.34
Rot. Bonds4

About cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate

cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate (PubChem CID 121190670) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namecyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
PubChem CID121190670
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Namecyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
SMILESO=C(OCC1CCC1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H22N4O2/c20-15(21-10-11-2-1-3-11)18-7-6-13(8-18)19-9-14(16-17-19)12-4-5-12/h9,11-13H,1-8,10H2
InChIKeyXUFQXJAYGLBIDC-UHFFFAOYSA-N
XLogP2.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-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

Related Compounds

3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
[(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 129356653
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589
[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129354702
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 121190540
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
[1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 121190658
(4-tert-butylphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190591
4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 121190686
2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121190555

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate (CID 121190670) is cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate is O=C(OCC1CCC1)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is XUFQXJAYGLBIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-15(21-10-11-2-1-3-11)18-7-6-13(8-18)19-9-14(16-17-19)12-4-5-12/h9,11-13H,1-8,10H2.
What are the key properties of cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 121190670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).