ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate

C15H23N3O2 — CID 103107231

IUPACethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(C2CCCC(C)C2)c1C1CC1
InChIInChI=1S/C15H23N3O2/c1-3-20-15(19)13-14(11-7-8-11)18(17-16-13)12-6-4-5-10(2)9-12/h10-12H,3-9H2,1-2H3
InChIKeyZQNIPAJDRXLTOO-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.08
Rot. Bonds4

About ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate

ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate (PubChem CID 103107231) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate
PubChem CID103107231
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(C2CCCC(C)C2)c1C1CC1
InChIInChI=1S/C15H23N3O2/c1-3-20-15(19)13-14(11-7-8-11)18(17-16-13)12-6-4-5-10(2)9-12/h10-12H,3-9H2,1-2H3
InChIKeyZQNIPAJDRXLTOO-UHFFFAOYSA-N
XLogP3.08
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate (CID 103107231) is ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate is CCOC(=O)c1nnn(C2CCCC(C)C2)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate?
The InChIKey is ZQNIPAJDRXLTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-15(19)13-14(11-7-8-11)18(17-16-13)12-6-4-5-10(2)9-12/h10-12H,3-9H2,1-2H3.
What are the key properties of ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate?
ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate is sourced from PubChem (CID 103107231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).