methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate

C15H25N3O3 — CID 103113447

IUPACmethyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate
SMILESCCCc1c(C(=O)OC)nnn1C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H25N3O3/c1-7-8-10-12(13(19)20-6)16-17-18(10)11-9-14(2,3)21-15(11,4)5/h11H,7-9H2,1-6H3
InChIKeyDUNUDAUKKXGAQU-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.54
Rot. Bonds4

About methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate

methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate (PubChem CID 103113447) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate
PubChem CID103113447
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Namemethyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate
SMILESCCCc1c(C(=O)OC)nnn1C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H25N3O3/c1-7-8-10-12(13(19)20-6)16-17-18(10)11-9-14(2,3)21-15(11,4)5/h11H,7-9H2,1-6H3
InChIKeyDUNUDAUKKXGAQU-UHFFFAOYSA-N
XLogP2.54
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-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

Frequently Asked Questions

What is the IUPAC name of methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate?
The IUPAC name of methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate (CID 103113447) is methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate.
What is the SMILES notation for methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate?
The canonical SMILES for methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate is CCCc1c(C(=O)OC)nnn1C1CC(C)(C)OC1(C)C.
What is the InChIKey of methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate?
The InChIKey is DUNUDAUKKXGAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-7-8-10-12(13(19)20-6)16-17-18(10)11-9-14(2,3)21-15(11,4)5/h11H,7-9H2,1-6H3.
What are the key properties of methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate?
methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate is sourced from PubChem (CID 103113447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).