cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate

C14H15N3O2 — CID 167321169

IUPACcyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate
SMILESC[C@H](c1ccccc1)n1nncc1C(=O)OC1CC1
InChIInChI=1S/C14H15N3O2/c1-10(11-5-3-2-4-6-11)17-13(9-15-16-17)14(18)19-12-7-8-12/h2-6,9-10,12H,7-8H2,1H3/t10-/m1/s1
InChIKeySCYWGTQYYCIQOI-SNVBAGLBSA-N
MW257.29 g/mol
LogP2.21
Rot. Bonds4

About cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate

cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate (PubChem CID 167321169) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate.

Molecular Properties

Compound Namecyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate
PubChem CID167321169
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namecyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate
SMILESC[C@H](c1ccccc1)n1nncc1C(=O)OC1CC1
InChIInChI=1S/C14H15N3O2/c1-10(11-5-3-2-4-6-11)17-13(9-15-16-17)14(18)19-12-7-8-12/h2-6,9-10,12H,7-8H2,1H3/t10-/m1/s1
InChIKeySCYWGTQYYCIQOI-SNVBAGLBSA-N
XLogP2.21
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl 3-[(1R)-1-phenylethyl]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 cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate?
The IUPAC name of cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate (CID 167321169) is cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate.
What is the SMILES notation for cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate?
The canonical SMILES for cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate is C[C@H](c1ccccc1)n1nncc1C(=O)OC1CC1.
What is the InChIKey of cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate?
The InChIKey is SCYWGTQYYCIQOI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(11-5-3-2-4-6-11)17-13(9-15-16-17)14(18)19-12-7-8-12/h2-6,9-10,12H,7-8H2,1H3/t10-/m1/s1.
What are the key properties of cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate?
cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate is sourced from PubChem (CID 167321169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).