methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate

C9H13N3O3 — CID 129412512

IUPACmethyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(C[C@H]2CCOC2)nn1
InChIInChI=1S/C9H13N3O3/c1-14-9(13)8-5-12(11-10-8)4-7-2-3-15-6-7/h5,7H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyHVKXQYYNOQEHNX-SSDOTTSWSA-N
MW211.22 g/mol
LogP0.10
Rot. Bonds3

About methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate

methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate (PubChem CID 129412512) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
PubChem CID129412512
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(C[C@H]2CCOC2)nn1
InChIInChI=1S/C9H13N3O3/c1-14-9(13)8-5-12(11-10-8)4-7-2-3-15-6-7/h5,7H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyHVKXQYYNOQEHNX-SSDOTTSWSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
CID 115034482
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide
CID 166258650
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526
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
4-(chloromethyl)-1-[[(3S)-oxolan-3-yl]methyl]triazole
CID 129367875
3-methoxy-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 125456733
1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide
CID 63568612
1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide
CID 126825323
methyl 1-[[(3S,6R)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxan-2-yl]methyl]triazole-4-carboxylate
CID 134972129
2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 114131907

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate (CID 129412512) is methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate is COC(=O)c1cn(C[C@H]2CCOC2)nn1.
What is the InChIKey of methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate?
The InChIKey is HVKXQYYNOQEHNX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-9(13)8-5-12(11-10-8)4-7-2-3-15-6-7/h5,7H,2-4,6H2,1H3/t7-/m1/s1.
What are the key properties of methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate?
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate is sourced from PubChem (CID 129412512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).