methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate

C9H13N3O3 — CID 129414230

IUPACmethyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(C[C@H]2CCCO2)nn1
InChIInChI=1S/C9H13N3O3/c1-14-9(13)8-6-12(11-10-8)5-7-3-2-4-15-7/h6-7H,2-5H2,1H3/t7-/m1/s1
InChIKeyVWHCJTJWYMAVKA-SSDOTTSWSA-N
MW211.22 g/mol
LogP0.24
Rot. Bonds3

About methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate

methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate (PubChem CID 129414230) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
PubChem CID129414230
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(C[C@H]2CCCO2)nn1
InChIInChI=1S/C9H13N3O3/c1-14-9(13)8-6-12(11-10-8)5-7-3-2-4-15-7/h6-7H,2-5H2,1H3/t7-/m1/s1
InChIKeyVWHCJTJWYMAVKA-SSDOTTSWSA-N
XLogP0.24
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[(2R)-oxolan-2-yl]methyl]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

methyl 1-[(5-oxooxolan-2-yl)methyl]triazole-4-carboxylate
CID 15486780
methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)triazole-4-carboxylate
CID 102846929
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512
methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
CID 115034482
N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 56902904
N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45207828
1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide
CID 42288627
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
1-[[(2S)-oxolan-2-yl]methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
CID 95726876
N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 42101548
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]triazol-4-yl]methanone
CID 42099259

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate (CID 129414230) is methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate is COC(=O)c1cn(C[C@H]2CCCO2)nn1.
What is the InChIKey of methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate?
The InChIKey is VWHCJTJWYMAVKA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-9(13)8-6-12(11-10-8)5-7-3-2-4-15-7/h6-7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate?
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate is sourced from PubChem (CID 129414230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).