methyl 1-cyclohexyltriazole-4-carboxylate

C10H15N3O2 — CID 103689291

IUPACmethyl 1-cyclohexyltriazole-4-carboxylate
SMILESCOC(=O)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C10H15N3O2/c1-15-10(14)9-7-13(12-11-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyHSKIHGQGIFIYSY-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.57
Rot. Bonds2

About methyl 1-cyclohexyltriazole-4-carboxylate

methyl 1-cyclohexyltriazole-4-carboxylate (PubChem CID 103689291) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 1-cyclohexyltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclohexyltriazole-4-carboxylate
PubChem CID103689291
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 1-cyclohexyltriazole-4-carboxylate
SMILESCOC(=O)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C10H15N3O2/c1-15-10(14)9-7-13(12-11-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyHSKIHGQGIFIYSY-UHFFFAOYSA-N
XLogP1.57
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(3S)-pyrrolidin-3-yl]triazole-4-carboxylate
CID 97297705
methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate
CID 103107476
tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
CID 119030830
methyl (2S)-1-(1-cyclohexyltriazole-4-carbonyl)piperidine-2-carboxylate
CID 42355771
5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054898
methyl 1-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]triazole-4-carboxylate
CID 75456867
ethyl 1-(thian-4-yl)triazole-4-carboxylate
CID 122241137
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
[(1R)-1-[(1-cyclohexyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155512795
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate
CID 58493124
methyl 1-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]triazole-4-carboxylate
CID 124623849

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclohexyltriazole-4-carboxylate?
The IUPAC name of methyl 1-cyclohexyltriazole-4-carboxylate (CID 103689291) is methyl 1-cyclohexyltriazole-4-carboxylate.
What is the SMILES notation for methyl 1-cyclohexyltriazole-4-carboxylate?
The canonical SMILES for methyl 1-cyclohexyltriazole-4-carboxylate is COC(=O)c1cn(C2CCCCC2)nn1.
What is the InChIKey of methyl 1-cyclohexyltriazole-4-carboxylate?
The InChIKey is HSKIHGQGIFIYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-10(14)9-7-13(12-11-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of methyl 1-cyclohexyltriazole-4-carboxylate?
methyl 1-cyclohexyltriazole-4-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclohexyltriazole-4-carboxylate is sourced from PubChem (CID 103689291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).