tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate

C18H30N4O2 — CID 144702992

IUPACtert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1c1nc(C2CCCCCCC2)n[nH]1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)24-17(23)22-12-11-14(22)16-19-15(20-21-16)13-9-7-5-4-6-8-10-13/h13-14H,4-12H2,1-3H3,(H,19,20,21)
InChIKeyFZFYZUVBEATYJH-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.31
Rot. Bonds2

About tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate

tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate (PubChem CID 144702992) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate
PubChem CID144702992
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Nametert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1c1nc(C2CCCCCCC2)n[nH]1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)24-17(23)22-12-11-14(22)16-19-15(20-21-16)13-9-7-5-4-6-8-10-13/h13-14H,4-12H2,1-3H3,(H,19,20,21)
InChIKeyFZFYZUVBEATYJH-UHFFFAOYSA-N
XLogP4.31
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-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

tert-butyl (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)azetidine-1-carboxylate
CID 118683246
tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate
CID 123386246
tert-butyl 2-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-2-methylpyrrolidine-1-carboxylate
CID 123923000
tert-butyl 2-(3-cyclododecyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate
CID 123973139
tert-butyl (2S)-2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate
CID 139317846
tert-butyl (2S)-2-[5-(cyclooctylmethyl)-1H-1,2,4-triazol-3-yl]-2-methylpyrrolidine-1-carboxylate
CID 139317856
tert-butyl (2S)-2-(3-cycloheptyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate
CID 144603989
tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate
CID 166986045
tert-butyl 6-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 169104613
tert-butyl 3-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate
CID 170565812
tert-butyl 4-[5-[[(2-methylcyclobutyl)amino]methyl]-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 145879501
tert-butyl N-[3-[[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]methyl]cyclobutyl]carbamate
CID 167765025

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate (CID 144702992) is tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC1c1nc(C2CCCCCCC2)n[nH]1.
What is the InChIKey of tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate?
The InChIKey is FZFYZUVBEATYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,3)24-17(23)22-12-11-14(22)16-19-15(20-21-16)13-9-7-5-4-6-8-10-13/h13-14H,4-12H2,1-3H3,(H,19,20,21).
What are the key properties of tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate?
tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-cyclooctyl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate is sourced from PubChem (CID 144702992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).