cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate

C13H20N4O2 — CID 79310176

IUPACcyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate
SMILESO=C(OCC1CCCCC1)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H20N4O2/c18-13(19-9-10-4-2-1-3-5-10)12-8-17(16-15-12)11-6-14-7-11/h8,10-11,14H,1-7,9H2
InChIKeyWZKYHZDBKQLYHR-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.16
Rot. Bonds4

About cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate

cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate (PubChem CID 79310176) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate
PubChem CID79310176
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namecyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate
SMILESO=C(OCC1CCCCC1)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H20N4O2/c18-13(19-9-10-4-2-1-3-5-10)12-8-17(16-15-12)11-6-14-7-11/h8,10-11,14H,1-7,9H2
InChIKeyWZKYHZDBKQLYHR-UHFFFAOYSA-N
XLogP1.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-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

N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
[1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 79316632
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
methyl 1-[(3S)-pyrrolidin-3-yl]triazole-4-carboxylate
CID 97297705
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
ethyl 1-(thian-4-yl)triazole-4-carboxylate
CID 122241137

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate?
The IUPAC name of cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate (CID 79310176) is cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate.
What is the SMILES notation for cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate?
The canonical SMILES for cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate is O=C(OCC1CCCCC1)c1cn(C2CNC2)nn1.
What is the InChIKey of cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate?
The InChIKey is WZKYHZDBKQLYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(19-9-10-4-2-1-3-5-10)12-8-17(16-15-12)11-6-14-7-11/h8,10-11,14H,1-7,9H2.
What are the key properties of cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate?
cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate is sourced from PubChem (CID 79310176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).