methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate

C14H16N4O4 — CID 167755753

IUPACmethyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cn([C@@H]3COC[C@H]3OC)nn2)n1
InChIInChI=1S/C14H16N4O4/c1-20-13-8-22-7-12(13)18-6-11(16-17-18)9-4-3-5-10(15-9)14(19)21-2/h3-6,12-13H,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKeyKSDUCYMSULLEDW-CHWSQXEVSA-N
MW304.31 g/mol
LogP0.71
Rot. Bonds4

About methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate

methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate (PubChem CID 167755753) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate
PubChem CID167755753
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Namemethyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cn([C@@H]3COC[C@H]3OC)nn2)n1
InChIInChI=1S/C14H16N4O4/c1-20-13-8-22-7-12(13)18-6-11(16-17-18)9-4-3-5-10(15-9)14(19)21-2/h3-6,12-13H,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKeyKSDUCYMSULLEDW-CHWSQXEVSA-N
XLogP0.71
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide
CID 124708687
methyl 3-[1-[(3R,4S)-4-hydroxyoxolan-3-yl]triazol-4-yl]benzoate
CID 167982177
methyl 6-[1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)azetidin-3-yl]triazol-4-yl]pyridine-2-carboxylate
CID 167875246
[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]methanamine
CID 100664503
methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
CID 58508119
methyl 1-[3-[(2-phenoxyacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]triazole-4-carboxylate
CID 73134944
(4-benzyl-3-ethylpiperazin-1-yl)-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]methanone
CID 167978801
ethyl 1-[(3R,4S)-4-aminooxolan-3-yl]triazole-4-carboxylate
CID 178194330
methyl 1-[(3S,3aS,6R,6aR)-3-(naphthalen-1-ylcarbamoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]triazole-4-carboxylate
CID 162805284
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
methyl 1-[(4S,5S,6S)-5-hydroxy-8-oxaspiro[5.6]dodecan-4-yl]triazole-4-carboxylate
CID 125448848
6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine
CID 166305739

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate (CID 167755753) is methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cn([C@@H]3COC[C@H]3OC)nn2)n1.
What is the InChIKey of methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate?
The InChIKey is KSDUCYMSULLEDW-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-20-13-8-22-7-12(13)18-6-11(16-17-18)9-4-3-5-10(15-9)14(19)21-2/h3-6,12-13H,7-8H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate?
methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate has a molecular weight of 304.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 167755753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).